N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide

C12H25N3O2S — CID 43136981

IUPACN-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)N(CCCN)C1CC1
InChIInChI=1S/C12H25N3O2S/c1-11-5-2-3-9-14(11)18(16,17)15(10-4-8-13)12-6-7-12/h11-12H,2-10,13H2,1H3
InChIKeyKBQBABRCIMMFTF-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.92
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide

N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide (PubChem CID 43136981) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide
PubChem CID43136981
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide
SMILESCC1CCCCN1S(=O)(=O)N(CCCN)C1CC1
InChIInChI=1S/C12H25N3O2S/c1-11-5-2-3-9-14(11)18(16,17)15(10-4-8-13)12-6-7-12/h11-12H,2-10,13H2,1H3
InChIKeyKBQBABRCIMMFTF-UHFFFAOYSA-N
XLogP0.92
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 43136957
N-(2-bromoethyl)-N-cyclobutyl-2-methylpiperidine-1-sulfonamide
CID 102873505
N-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-sulfonamide
CID 43136983
(2R)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95301386
(2S)-N-cyclopropyl-2-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95301387
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 61348368
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479
N-(4-aminocyclohexyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 79121076
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55241014
N-cyclohexyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128926642
N-(2-aminoethyl)-N-cyclopentylpyrrolidine-1-sulfonamide
CID 63766567

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide (CID 43136981) is N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide is CC1CCCCN1S(=O)(=O)N(CCCN)C1CC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide?
The InChIKey is KBQBABRCIMMFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-11-5-2-3-9-14(11)18(16,17)15(10-4-8-13)12-6-7-12/h11-12H,2-10,13H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide?
N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 43136981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).