N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide

C16H22N2O2S — CID 113084974

IUPACN-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C16H22N2O2S/c1-3-10-21(19,20)17-12-16(8-9-16)14-11-18(2)15-7-5-4-6-13(14)15/h4-7,11,17H,3,8-10,12H2,1-2H3
InChIKeySCSXRHPMAFYLDM-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.54
Rot. Bonds6

About N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide

N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide (PubChem CID 113084974) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
PubChem CID113084974
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCC1(c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C16H22N2O2S/c1-3-10-21(19,20)17-12-16(8-9-16)14-11-18(2)15-7-5-4-6-13(14)15/h4-7,11,17H,3,8-10,12H2,1-2H3
InChIKeySCSXRHPMAFYLDM-UHFFFAOYSA-N
XLogP2.54
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
2-chloro-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084942
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]-2-(3-methylphenyl)acetamide
CID 113084958
3,4,5-trimethoxy-N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]benzamide
CID 113084931
1-(2,6-dichlorophenyl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 3072916
2-[3-(1-methylindol-3-yl)oxetan-3-yl]ethanethiol
CID 116872556
2-[1-(1-methylindol-3-yl)cyclopentyl]acetonitrile
CID 10752435
2-[1-(1-methylindol-3-yl)cyclopropyl]propan-2-amine
CID 83673846
1-[3-(1-methylindol-3-yl)oxetan-3-yl]propan-2-one
CID 116873826
1-methyl-1-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
CID 154503524
1-[1-(6-chloro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84633362
1-[1-(6-fluoro-1-methylindol-3-yl)cyclopropyl]-N-methylmethanamine
CID 84627003

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide?
The IUPAC name of N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide (CID 113084974) is N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide?
The canonical SMILES for N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCC1(c2cn(C)c3ccccc23)CC1.
What is the InChIKey of N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide?
The InChIKey is SCSXRHPMAFYLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-3-10-21(19,20)17-12-16(8-9-16)14-11-18(2)15-7-5-4-6-13(14)15/h4-7,11,17H,3,8-10,12H2,1-2H3.
What are the key properties of N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide?
N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylindol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide is sourced from PubChem (CID 113084974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).