N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine

C16H29N3O2S — CID 42289450

IUPACN-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine
SMILESCCCN(Cc1cnc(S(C)(=O)=O)n1CC(C)C)CC1CC1
InChIInChI=1S/C16H29N3O2S/c1-5-8-18(11-14-6-7-14)12-15-9-17-16(22(4,20)21)19(15)10-13(2)3/h9,13-14H,5-8,10-12H2,1-4H3
InChIKeyGQCUFADSDXDZHZ-UHFFFAOYSA-N
MW327.49 g/mol
LogP2.56
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine

N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine (PubChem CID 42289450) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine
PubChem CID42289450
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC NameN-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine
SMILESCCCN(Cc1cnc(S(C)(=O)=O)n1CC(C)C)CC1CC1
InChIInChI=1S/C16H29N3O2S/c1-5-8-18(11-14-6-7-14)12-15-9-17-16(22(4,20)21)19(15)10-13(2)3/h9,13-14H,5-8,10-12H2,1-4H3
InChIKeyGQCUFADSDXDZHZ-UHFFFAOYSA-N
XLogP2.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclopropyl-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862551
2-(Cyclopropylmethyl)-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862552
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
4-[(1-isobutyl-1H-imidazol-5-yl)methyl]thiomorpholine 1,1-dioxide
CID 91844196
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-ylcyclohexanamine
CID 28739725
N-ethyl-2-methylsulfonyl-N-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]ethanamine
CID 126841708
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953
({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)ethyl(methyl)amine
CID 25273955
({1-butyl-2-[(cyclobutylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)isopropyl(methyl)amine
CID 25274212
N-ethyl-N-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-2-methyl-2-propen-1-amine
CID 25282962
N-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-N-ethyl-2-methyl-2-propen-1-amine
CID 25286988

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine (CID 42289450) is N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine is CCCN(Cc1cnc(S(C)(=O)=O)n1CC(C)C)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine?
The InChIKey is GQCUFADSDXDZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-5-8-18(11-14-6-7-14)12-15-9-17-16(22(4,20)21)19(15)10-13(2)3/h9,13-14H,5-8,10-12H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine?
N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine has a molecular weight of 327.49 g/mol, XLogP of 2.56, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 42289450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).