3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide

C11H24N4O2S — CID 106075545

IUPAC3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide
SMILESCN1CCN(NS(=O)(=O)CCCNC2CC2)CC1
InChIInChI=1S/C11H24N4O2S/c1-14-6-8-15(9-7-14)13-18(16,17)10-2-5-12-11-3-4-11/h11-13H,2-10H2,1H3
InChIKeyCUHMUHFXWVKNQI-UHFFFAOYSA-N
MW276.41 g/mol
LogP-0.79
Rot. Bonds7

About 3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide

3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide (PubChem CID 106075545) has the molecular formula C11H24N4O2S and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide
PubChem CID106075545
Molecular FormulaC11H24N4O2S
Molecular Weight276.41 g/mol
Exact Mass276.16
IUPAC Name3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide
SMILESCN1CCN(NS(=O)(=O)CCCNC2CC2)CC1
InChIInChI=1S/C11H24N4O2S/c1-14-6-8-15(9-7-14)13-18(16,17)10-2-5-12-11-3-4-11/h11-13H,2-10H2,1H3
InChIKeyCUHMUHFXWVKNQI-UHFFFAOYSA-N
XLogP-0.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 106075461
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CID 83026101
3-(cyclopropylamino)-N-(1,3-dimethylpiperidin-4-yl)propane-1-sulfonamide
CID 106083082
N,N'-bis(1-methylpiperidin-4-yl)hexane-1,6-diamine
CID 4712087
3-(cyclopropylamino)-N-pentan-3-ylpropane-1-sulfonamide
CID 106032168
N-(3-tert-butylsulfonylpropyl)cyclopropanamine
CID 64645174
3-(cyclopropylamino)-N-(4-methylhexan-2-yl)propane-1-sulfonamide
CID 106066791
N-[3-(2-methylsulfonylethylsulfanyl)propyl]cyclopropanamine
CID 63658882
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propylcyclohexan-1-amine
CID 28656952
3-(cyclopropylamino)-N-(1,1-dioxothiolan-3-yl)propane-1-sulfonamide
CID 106059860
3-(cyclopropylamino)-N-[2-(diethylamino)ethyl]propane-1-sulfonamide
CID 114139088
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide?
The IUPAC name of 3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide (CID 106075545) is 3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide?
The canonical SMILES for 3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide is CN1CCN(NS(=O)(=O)CCCNC2CC2)CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide?
The InChIKey is CUHMUHFXWVKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2S/c1-14-6-8-15(9-7-14)13-18(16,17)10-2-5-12-11-3-4-11/h11-13H,2-10H2,1H3.
What are the key properties of 3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide?
3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide has a molecular weight of 276.41 g/mol, XLogP of -0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-(4-methylpiperazin-1-yl)propane-1-sulfonamide is sourced from PubChem (CID 106075545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).