N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide

C12H25N3O2S — CID 43598672

IUPACN-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCCCNC2CC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-11-5-9-15(10-6-11)18(16,17)14-8-2-7-13-12-3-4-12/h11-14H,2-10H2,1H3
InChIKeyCWDUMUXGLZBKQK-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.69
Rot. Bonds7

About N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide

N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 43598672) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide
PubChem CID43598672
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCCCNC2CC2)CC1
InChIInChI=1S/C12H25N3O2S/c1-11-5-9-15(10-6-11)18(16,17)14-8-2-7-13-12-3-4-12/h11-14H,2-10H2,1H3
InChIKeyCWDUMUXGLZBKQK-UHFFFAOYSA-N
XLogP0.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide (CID 43598672) is N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCCCNC2CC2)CC1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is CWDUMUXGLZBKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11-5-9-15(10-6-11)18(16,17)14-8-2-7-13-12-3-4-12/h11-14H,2-10H2,1H3.
What are the key properties of N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide?
N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43598672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).