1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine

C16H29N3O3S — CID 42453817

IUPAC1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine
SMILESCOCCn1c(CN(C)C)cnc1S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C16H29N3O3S/c1-18(2)13-14-12-17-16(19(14)10-11-22-3)23(20,21)15-8-6-4-5-7-9-15/h12,15H,4-11,13H2,1-3H3
InChIKeyKDXYQJMTZJDDGL-UHFFFAOYSA-N
MW343.49 g/mol
LogP2.09
Rot. Bonds7

About 1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine

1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 42453817) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine
PubChem CID42453817
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC Name1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine
SMILESCOCCn1c(CN(C)C)cnc1S(=O)(=O)C1CCCCCC1
InChIInChI=1S/C16H29N3O3S/c1-18(2)13-14-12-17-16(19(14)10-11-22-3)23(20,21)15-8-6-4-5-7-9-15/h12,15H,4-11,13H2,1-3H3
InChIKeyKDXYQJMTZJDDGL-UHFFFAOYSA-N
XLogP2.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 42594408
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28389274
N-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}propane-2-sulfonamide
CID 131937458
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
4-{[2-[(2,2-dimethylpropyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-dimethylpiperazine
CID 45173309
({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

Frequently Asked Questions

What is the IUPAC name of 1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine (CID 42453817) is 1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine is COCCn1c(CN(C)C)cnc1S(=O)(=O)C1CCCCCC1.
What is the InChIKey of 1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is KDXYQJMTZJDDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-18(2)13-14-12-17-16(19(14)10-11-22-3)23(20,21)15-8-6-4-5-7-9-15/h12,15H,4-11,13H2,1-3H3.
What are the key properties of 1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine?
1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 343.49 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 42453817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).