N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide

C12H22N4O3S — CID 114810582

IUPACN-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide
SMILESO=C(C1CCCN1S(=O)(=O)NC1CC1)N1CCNCC1
InChIInChI=1S/C12H22N4O3S/c17-12(15-8-5-13-6-9-15)11-2-1-7-16(11)20(18,19)14-10-3-4-10/h10-11,13-14H,1-9H2
InChIKeyKLIKTSPKUVBCEV-UHFFFAOYSA-N
MW302.40 g/mol
LogP-1.12
Rot. Bonds4

About N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide

N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide (PubChem CID 114810582) has the molecular formula C12H22N4O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide
PubChem CID114810582
Molecular FormulaC12H22N4O3S
Molecular Weight302.40 g/mol
Exact Mass302.14
IUPAC NameN-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide
SMILESO=C(C1CCCN1S(=O)(=O)NC1CC1)N1CCNCC1
InChIInChI=1S/C12H22N4O3S/c17-12(15-8-5-13-6-9-15)11-2-1-7-16(11)20(18,19)14-10-3-4-10/h10-11,13-14H,1-9H2
InChIKeyKLIKTSPKUVBCEV-UHFFFAOYSA-N
XLogP-1.12
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide (CID 114810582) is N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide is O=C(C1CCCN1S(=O)(=O)NC1CC1)N1CCNCC1.
What is the InChIKey of N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide?
The InChIKey is KLIKTSPKUVBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3S/c17-12(15-8-5-13-6-9-15)11-2-1-7-16(11)20(18,19)14-10-3-4-10/h10-11,13-14H,1-9H2.
What are the key properties of N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide?
N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide has a molecular weight of 302.40 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(piperazine-1-carbonyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114810582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).