N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine

C18H31N3O3S — CID 45212502

IUPACN-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCO1
InChIInChI=1S/C18H31N3O3S/c1-14(2)10-20(3)11-16-9-19-18(25(22,23)13-15-6-7-15)21(16)12-17-5-4-8-24-17/h9,14-15,17H,4-8,10-13H2,1-3H3
InChIKeyPCDZGPABHRFKHA-UHFFFAOYSA-N
MW369.53 g/mol
LogP2.33
Rot. Bonds9

About N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine

N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine (PubChem CID 45212502) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
PubChem CID45212502
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC NameN-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine
SMILESCC(C)CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCO1
InChIInChI=1S/C18H31N3O3S/c1-14(2)10-20(3)11-16-9-19-18(25(22,23)13-15-6-7-15)21(16)12-17-5-4-8-24-17/h9,14-15,17H,4-8,10-13H2,1-3H3
InChIKeyPCDZGPABHRFKHA-UHFFFAOYSA-N
XLogP2.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine with MolForge

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Related Compounds

N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45220977
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639
Sdccgsbi-0117255.P001
CID 42529828
Sdccgsbi-0114908.P001
CID 45252952
((2S)-1-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-pyrrolidinyl)methanol
CID 25274703

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The IUPAC name of N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine (CID 45212502) is N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine is CC(C)CN(C)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCO1.
What is the InChIKey of N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
The InChIKey is PCDZGPABHRFKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-14(2)10-20(3)11-16-9-19-18(25(22,23)13-15-6-7-15)21(16)12-17-5-4-8-24-17/h9,14-15,17H,4-8,10-13H2,1-3H3.
What are the key properties of N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine?
N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine has a molecular weight of 369.53 g/mol, XLogP of 2.33, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 45212502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).