N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide

C12H27N3O2S — CID 43136957

IUPACN-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H27N3O2S/c1-11(2)14(10-6-8-13)18(16,17)15-9-5-4-7-12(15)3/h11-12H,4-10,13H2,1-3H3
InChIKeyYKIVUBGGRBVFPJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.16
Rot. Bonds6

About N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide

N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 43136957) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID43136957
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C12H27N3O2S/c1-11(2)14(10-6-8-13)18(16,17)15-9-5-4-7-12(15)3/h11-12H,4-10,13H2,1-3H3
InChIKeyYKIVUBGGRBVFPJ-UHFFFAOYSA-N
XLogP1.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 61348368
N-(3-chloropropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 63396547
N-(3-aminopropyl)-N-cyclopropyl-2-methylpiperidine-1-sulfonamide
CID 43136981
N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 43136959
4-(2-methylpiperidin-1-yl)sulfonylbutan-1-amine
CID 61456479
N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylpiperidine-1-sulfonamide
CID 54999140
1-[3-hydroxypropyl(propan-2-yl)sulfamoyl]piperidine-2-carboxylic acid
CID 61039163
N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
2-[1-(2-methylpiperidin-1-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55241014
(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-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide (CID 43136957) is N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide is CC(C)N(CCCN)S(=O)(=O)N1CCCCC1C.
What is the InChIKey of N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is YKIVUBGGRBVFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)14(10-6-8-13)18(16,17)15-9-5-4-7-12(15)3/h11-12H,4-10,13H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide?
N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methyl-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 43136957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).