N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide

C12H22N4O2S — CID 125439977

IUPACN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)N1CCCC1)c1nccn1C
InChIInChI=1S/C12H22N4O2S/c1-10(2)11(12-13-6-9-15(12)3)14-19(17,18)16-7-4-5-8-16/h6,9-11,14H,4-5,7-8H2,1-3H3/t11-/m0/s1
InChIKeyZWIDBTCFOYCQBF-NSHDSACASA-N
MW286.40 g/mol
LogP1.05
Rot. Bonds5

About N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide

N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide (PubChem CID 125439977) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide
PubChem CID125439977
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC NameN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide
SMILESCC(C)[C@H](NS(=O)(=O)N1CCCC1)c1nccn1C
InChIInChI=1S/C12H22N4O2S/c1-10(2)11(12-13-6-9-15(12)3)14-19(17,18)16-7-4-5-8-16/h6,9-11,14H,4-5,7-8H2,1-3H3/t11-/m0/s1
InChIKeyZWIDBTCFOYCQBF-NSHDSACASA-N
XLogP1.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-[3-(sulfamoylamino)propyl]imidazole
CID 72713105
1-methyl-2-(pyrrolidin-3-yl)-1H-imidazole
CID 69121108
2-methyl-1-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61686283
cyclopropyl(1-methyl-1H-imidazol-2-yl)methanamine
CID 16641495
1-methyl-2-(pyrrolidin-2-yl)-1H-imidazole
CID 64088347
2-methyl-1-(1-methyl-1H-imidazol-2-yl)propan-1-amine
CID 16641494
3-methyl-1-(1-methyl-1H-imidazol-2-yl)butan-2-amine
CID 60758012
1,1-bis(1-methyl-1H-imidazol-2-yl)methanamine
CID 79006287
2-ethyl-1-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 61685971
N,N-dimethyl-3-{2-[1-(1-pyrrolidinylsulfonyl)-3-piperidinyl]-1H-imidazol-1-yl}-1-propanamine
CID 72862722
N-[3-(2-propylimidazol-1-yl)propyl]methanesulfonamide
CID 84590516
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]piperidine-1-sulfonamide
CID 84598459

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide (CID 125439977) is N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide is CC(C)[C@H](NS(=O)(=O)N1CCCC1)c1nccn1C.
What is the InChIKey of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide?
The InChIKey is ZWIDBTCFOYCQBF-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-10(2)11(12-13-6-9-15(12)3)14-19(17,18)16-7-4-5-8-16/h6,9-11,14H,4-5,7-8H2,1-3H3/t11-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide?
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 125439977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).