(3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine

C15H31N3O2S — CID 95212661

IUPAC(3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine
SMILESCCN(C)S(=O)(=O)NC[C@H]1CCN(C2CCCCCC2)C1
InChIInChI=1S/C15H31N3O2S/c1-3-17(2)21(19,20)16-12-14-10-11-18(13-14)15-8-6-4-5-7-9-15/h14-16H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyKMTOVLBNGACARY-CQSZACIVSA-N
MW317.50 g/mol
LogP1.82
Rot. Bonds6

About (3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine

(3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine (PubChem CID 95212661) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine
PubChem CID95212661
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC Name(3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine
SMILESCCN(C)S(=O)(=O)NC[C@H]1CCN(C2CCCCCC2)C1
InChIInChI=1S/C15H31N3O2S/c1-3-17(2)21(19,20)16-12-14-10-11-18(13-14)15-8-6-4-5-7-9-15/h14-16H,3-13H2,1-2H3/t14-/m1/s1
InChIKeyKMTOVLBNGACARY-CQSZACIVSA-N
XLogP1.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclooctylpyrrolidin-3-yl)methyl]propan-2-amine
CID 55083195
N-[[(3S)-1-cyclopentylpyrrolidin-3-yl]methyl]-N',N'-diethyloxamide
CID 95216515
4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine
CID 70768852
4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(E)-2-methylpent-2-enyl]piperidine
CID 56757093
N-[(1-cyclohexylpiperidin-3-yl)methyl]ethanamine
CID 63849672
N-[(1-cyclobutylpyrrolidin-3-yl)methyl]propan-1-amine
CID 62522605
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 119977585
3-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-fluorophenyl)methyl]piperidine
CID 56750737
1-methyl-3-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyrrolidine
CID 114135483
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119977584
4-[[[ethyl(methyl)sulfamoyl]amino]methyl]-1-[(2-methylphenyl)methyl]piperidine
CID 56745274
N-[(1-cyclohexylpyrrolidin-3-yl)methyl]-3-ethoxypropanamide
CID 122559584

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine?
The IUPAC name of (3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine (CID 95212661) is (3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine.
What is the SMILES notation for (3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine?
The canonical SMILES for (3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine is CCN(C)S(=O)(=O)NC[C@H]1CCN(C2CCCCCC2)C1.
What is the InChIKey of (3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine?
The InChIKey is KMTOVLBNGACARY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-3-17(2)21(19,20)16-12-14-10-11-18(13-14)15-8-6-4-5-7-9-15/h14-16H,3-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine?
(3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine has a molecular weight of 317.50 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidine is sourced from PubChem (CID 95212661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).