N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine

C15H31N3O2S — CID 20774747

IUPACN-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
SMILESCN1CCC[C@H]1CCCNS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C15H31N3O2S/c1-18-12-6-10-15(18)9-5-11-16-21(19,20)17-13-14-7-3-2-4-8-14/h14-17H,2-13H2,1H3/t15-/m1/s1
InChIKeyJWNROKNSKJQBTD-OAHLLOKOSA-N
MW317.50 g/mol
LogP1.87
Rot. Bonds8

About N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine

N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine (PubChem CID 20774747) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
PubChem CID20774747
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine
SMILESCN1CCC[C@H]1CCCNS(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C15H31N3O2S/c1-18-12-6-10-15(18)9-5-11-16-21(19,20)17-13-14-7-3-2-4-8-14/h14-17H,2-13H2,1H3/t15-/m1/s1
InChIKeyJWNROKNSKJQBTD-OAHLLOKOSA-N
XLogP1.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R*,4S*)-3-amino-N-ethyl-N-methyl-4-propyl-1-pyrrolidinesulfonamide
CID 72885954
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)pyrrolidine-1-sulfonamide
CID 131917277
4-(aminomethyl)-N-(dimethylsulfamoyl)-N-methylcyclohexan-1-amine
CID 17946855
[4-(Aminomethyl)cyclohexyl]methyl-dimethyl-sulfamoylazanium
CID 18324777
1-Amino-4-[(dimethylsulfamoylamino)methyl]cyclohexane
CID 22000435
1-(Dimethylsulfamoylamino)-4-methylcyclohexane
CID 23381127
[(2R)-2-(dimethylsulfamoylamino)propyl]cyclohexane
CID 58923317
3-(2-Piperidin-4-ylethyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 67714431
N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine
CID 70278974
2-Ethyl-3-(3-methylbutyl)-1,2,5-thiadiazolidine 1,1-dioxide
CID 89901773
(Diethylsulfamoylamino)methylcyclohexane
CID 144230977
[Propan-2-yl(sulfamoyl)amino]methylcyclohexane
CID 167048993

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine?
The IUPAC name of N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine (CID 20774747) is N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine is CN1CCC[C@H]1CCCNS(=O)(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine?
The InChIKey is JWNROKNSKJQBTD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-18-12-6-10-15(18)9-5-11-16-21(19,20)17-13-14-7-3-2-4-8-14/h14-17H,2-13H2,1H3/t15-/m1/s1.
What are the key properties of N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine?
N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine has a molecular weight of 317.50 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethylsulfamoyl)-3-[(2S)-1-methylpyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 20774747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).