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

C14H27N3O3S — CID 119533378

IUPACN-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)N1CCCC1)NCCC1CCNC1
InChIInChI=1S/C14H27N3O3S/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)
InChIKeyAEMVSQSGHBQZBK-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.31
Rot. Bonds8

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

N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide (PubChem CID 119533378) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide
PubChem CID119533378
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)N1CCCC1)NCCC1CCNC1
InChIInChI=1S/C14H27N3O3S/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)
InChIKeyAEMVSQSGHBQZBK-UHFFFAOYSA-N
XLogP0.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.31
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?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide (CID 119533378) is N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide is O=C(CCCS(=O)(=O)N1CCCC1)NCCC1CCNC1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
The InChIKey is AEMVSQSGHBQZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/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).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide?
N-(2-pyrrolidin-3-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide has a molecular weight of 317.46 g/mol, XLogP of 0.31, 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 is sourced from PubChem (CID 119533378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).