1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide

C9H16N4O2S — CID 62541638

IUPAC1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCCN2)c1
InChIInChI=1S/C9H16N4O2S/c1-13-6-9(11-7-13)16(14,15)12-5-8-3-2-4-10-8/h6-8,10,12H,2-5H2,1H3
InChIKeyNJZDSQRVPOGZCF-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.55
Rot. Bonds4

About 1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide

1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide (PubChem CID 62541638) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
PubChem CID62541638
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CCCN2)c1
InChIInChI=1S/C9H16N4O2S/c1-13-6-9(11-7-13)16(14,15)12-5-8-3-2-4-10-8/h6-8,10,12H,2-5H2,1H3
InChIKeyNJZDSQRVPOGZCF-UHFFFAOYSA-N
XLogP-0.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607634
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]imidazole-4-sulfonamide;hydrochloride
CID 120723340
N-(pyrrolidin-2-ylmethyl)pyridine-2-sulfonamide;hydrochloride
CID 66570297
2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-3-sulfonamide
CID 104710228
N-(pyrrolidin-2-ylmethyl)methanesulfonamide
CID 59418450
1-methyl-N-piperidin-4-ylimidazole-4-sulfonamide
CID 62375787
N-(2-bromo-2-cyclopropylethyl)-1-methylimidazole-4-sulfonamide
CID 114294580
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-1-methylimidazole-4-sulfonamide
CID 97355129
6-methyl-N-(piperidin-2-ylmethyl)pyridazine-3-sulfonamide
CID 71638761
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-1-methylimidazole-4-sulfonamide
CID 2810735
1-methyl-N-[2-(propan-2-ylamino)ethyl]imidazole-4-sulfonamide
CID 62664968
N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
CID 107973687

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide (CID 62541638) is 1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC2CCCN2)c1.
What is the InChIKey of 1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
The InChIKey is NJZDSQRVPOGZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-13-6-9(11-7-13)16(14,15)12-5-8-3-2-4-10-8/h6-8,10,12H,2-5H2,1H3.
What are the key properties of 1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide?
1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide is sourced from PubChem (CID 62541638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).