N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride

C14H28ClN3O3S — CID 119533377

IUPACN-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
SMILESCl.O=C(CCCS(=O)(=O)N1CCCC1)NCCC1CCNC1
InChIInChI=1S/C14H27N3O3S.ClH/c18-14(16-8-6-13-5-7-15-12-13)4-3-11-21(19,20)17-9-1-2-10-17;/h13,15H,1-12H2,(H,16,18);1H
InChIKeyNGJMRPCEJKGGFF-UHFFFAOYSA-N
MW353.92 g/mol
LogP0.73
Rot. Bonds8

About N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride

N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride (PubChem CID 119533377) has the molecular formula C14H28ClN3O3S and a molecular weight of 353.92 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
PubChem CID119533377
Molecular FormulaC14H28ClN3O3S
Molecular Weight353.92 g/mol
Exact Mass353.15
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
SMILESCl.O=C(CCCS(=O)(=O)N1CCCC1)NCCC1CCNC1
InChIInChI=1S/C14H27N3O3S.ClH/c18-14(16-8-6-13-5-7-15-12-13)4-3-11-21(19,20)17-9-1-2-10-17;/h13,15H,1-12H2,(H,16,18);1H
InChIKeyNGJMRPCEJKGGFF-UHFFFAOYSA-N
XLogP0.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride (CID 119533377) is N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride is Cl.O=C(CCCS(=O)(=O)N1CCCC1)NCCC1CCNC1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The InChIKey is NGJMRPCEJKGGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S.ClH/c18-14(16-8-6-13-5-7-15-12-13)4-3-11-21(19,20)17-9-1-2-10-17;/h13,15H,1-12H2,(H,16,18);1H.
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride has a molecular weight of 353.92 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 119533377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).