N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

C14H27N3O3S — CID 3239200

IUPACN-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C14H27N3O3S/c1-3-12(2)15-14(18)13-6-10-17(11-7-13)21(19,20)16-8-4-5-9-16/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyMKVOWKKWKMTMKJ-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.95
Rot. Bonds5

About N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide

N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (PubChem CID 3239200) has the molecular formula C14H27N3O3S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
PubChem CID3239200
Molecular FormulaC14H27N3O3S
Molecular Weight317.46 g/mol
Exact Mass317.18
IUPAC NameN-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C14H27N3O3S/c1-3-12(2)15-14(18)13-6-10-17(11-7-13)21(19,20)16-8-4-5-9-16/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyMKVOWKKWKMTMKJ-UHFFFAOYSA-N
XLogP0.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide (CID 3239200) is N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is MKVOWKKWKMTMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3S/c1-3-12(2)15-14(18)13-6-10-17(11-7-13)21(19,20)16-8-4-5-9-16/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide?
N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3239200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).