N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide

C11H23N3O2S — CID 54999539

IUPACN-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H23N3O2S/c1-10(2)14(9-11-3-4-11)17(15,16)13-7-5-12-6-8-13/h10-12H,3-9H2,1-2H3
InChIKeyJOQCLWFQTHQIMQ-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.26
Rot. Bonds5

About N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide

N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 54999539) has the molecular formula C11H23N3O2S and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide
PubChem CID54999539
Molecular FormulaC11H23N3O2S
Molecular Weight261.39 g/mol
Exact Mass261.15
IUPAC NameN-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)N(CC1CC1)S(=O)(=O)N1CCNCC1
InChIInChI=1S/C11H23N3O2S/c1-10(2)14(9-11-3-4-11)17(15,16)13-7-5-12-6-8-13/h10-12H,3-9H2,1-2H3
InChIKeyJOQCLWFQTHQIMQ-UHFFFAOYSA-N
XLogP0.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide (CID 54999539) is N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide is CC(C)N(CC1CC1)S(=O)(=O)N1CCNCC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is JOQCLWFQTHQIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2S/c1-10(2)14(9-11-3-4-11)17(15,16)13-7-5-12-6-8-13/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide?
N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 261.39 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 54999539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).