N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide

C9H19N3O3S — CID 63297119

IUPACN-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)N1CCNCC1
InChIInChI=1S/C9H19N3O3S/c13-9(8-1-2-8)7-11-16(14,15)12-5-3-10-4-6-12/h8-11,13H,1-7H2
InChIKeyPLBINCYWNFKXCQ-UHFFFAOYSA-N
MW249.34 g/mol
LogP-1.50
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide

N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide (PubChem CID 63297119) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide
PubChem CID63297119
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide
SMILESO=S(=O)(NCC(O)C1CC1)N1CCNCC1
InChIInChI=1S/C9H19N3O3S/c13-9(8-1-2-8)7-11-16(14,15)12-5-3-10-4-6-12/h8-11,13H,1-7H2
InChIKeyPLBINCYWNFKXCQ-UHFFFAOYSA-N
XLogP-1.50
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-cyclopropyl-2-(cyclopropylsulfamoylamino)ethanol
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CID 28775542
N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-(2-chloro-2-cyclopropylethyl)azepane-1-sulfonamide
CID 65031845
N-[(2-methylcyclopentyl)methyl]piperazine-1-sulfonamide
CID 107419038
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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide (CID 63297119) is N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide is O=S(=O)(NCC(O)C1CC1)N1CCNCC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide?
The InChIKey is PLBINCYWNFKXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c13-9(8-1-2-8)7-11-16(14,15)12-5-3-10-4-6-12/h8-11,13H,1-7H2.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide?
N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide has a molecular weight of 249.34 g/mol, XLogP of -1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-sulfonamide is sourced from PubChem (CID 63297119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).