(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide

C8H17N3O2S — CID 104978207

IUPAC(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide
SMILESC[C@H]1CN(S(=O)(=O)NC2CC2)CCN1
InChIInChI=1S/C8H17N3O2S/c1-7-6-11(5-4-9-7)14(12,13)10-8-2-3-8/h7-10H,2-6H2,1H3/t7-/m0/s1
InChIKeyVRSQNUZFDQRQTD-ZETCQYMHSA-N
MW219.31 g/mol
LogP-0.72
Rot. Bonds3

About (3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide

(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide (PubChem CID 104978207) has the molecular formula C8H17N3O2S and a molecular weight of 219.31 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide
PubChem CID104978207
Molecular FormulaC8H17N3O2S
Molecular Weight219.31 g/mol
Exact Mass219.10
IUPAC Name(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide
SMILESC[C@H]1CN(S(=O)(=O)NC2CC2)CCN1
InChIInChI=1S/C8H17N3O2S/c1-7-6-11(5-4-9-7)14(12,13)10-8-2-3-8/h7-10H,2-6H2,1H3/t7-/m0/s1
InChIKeyVRSQNUZFDQRQTD-ZETCQYMHSA-N
XLogP-0.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-methylpiperazine-1-sulfonamide
CID 114810914
3-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 114810913
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
(3R)-3-methylpiperazine-1-sulfonyl chloride
CID 167734783
(3S)-3-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide
CID 104978203
(3R)-N-(2-methoxyethyl)-3-methylpiperazine-1-sulfonamide
CID 104978727
N-(3-methylcyclopentyl)piperazine-1-sulfonamide
CID 114541483
1-(benzenesulfonyl)-3-methylpiperazine;hydrochloride
CID 66582417
N-(2-methylpiperidin-4-yl)azepane-1-sulfonamide
CID 106995874
N-cyclopropylpyrrolidine-1-sulfonamide
CID 60723889
1-(difluoromethylsulfonyl)-3-methylpiperazine
CID 65450334
3,5-dimethyl-N-(4-methylcyclohexyl)piperidine-1-sulfonamide
CID 134062148

Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide?
The IUPAC name of (3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide (CID 104978207) is (3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide.
What is the SMILES notation for (3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide?
The canonical SMILES for (3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide is C[C@H]1CN(S(=O)(=O)NC2CC2)CCN1.
What is the InChIKey of (3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide?
The InChIKey is VRSQNUZFDQRQTD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O2S/c1-7-6-11(5-4-9-7)14(12,13)10-8-2-3-8/h7-10H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide?
(3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide has a molecular weight of 219.31 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-3-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 104978207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).