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

C15H31N3O2S — CID 70278974

IUPACN-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine
SMILESC[C@@]1(CCCNS(=O)(=O)NCC2CCCCC2)CCCN1
InChIInChI=1S/C15H31N3O2S/c1-15(9-5-11-16-15)10-6-12-17-21(19,20)18-13-14-7-3-2-4-8-14/h14,16-18H,2-13H2,1H3/t15-/m0/s1
InChIKeyDSACUOJSPHCYCO-HNNXBMFYSA-N
MW317.50 g/mol
LogP1.91
Rot. Bonds8

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

N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine (PubChem CID 70278974) has the molecular formula C15H31N3O2S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine
PubChem CID70278974
Molecular FormulaC15H31N3O2S
Molecular Weight317.50 g/mol
Exact Mass317.21
IUPAC NameN-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine
SMILESC[C@@]1(CCCNS(=O)(=O)NCC2CCCCC2)CCCN1
InChIInChI=1S/C15H31N3O2S/c1-15(9-5-11-16-15)10-6-12-17-21(19,20)18-13-14-7-3-2-4-8-14/h14,16-18H,2-13H2,1H3/t15-/m0/s1
InChIKeyDSACUOJSPHCYCO-HNNXBMFYSA-N
XLogP1.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine?
The IUPAC name of N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine (CID 70278974) is N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine is C[C@@]1(CCCNS(=O)(=O)NCC2CCCCC2)CCCN1.
What is the InChIKey of N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine?
The InChIKey is DSACUOJSPHCYCO-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H31N3O2S/c1-15(9-5-11-16-15)10-6-12-17-21(19,20)18-13-14-7-3-2-4-8-14/h14,16-18H,2-13H2,1H3/t15-/m0/s1.
What are the key properties of N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine?
N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine has a molecular weight of 317.50 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethylsulfamoyl)-3-[(2S)-2-methylpyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 70278974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).