N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide

C12H27N3O2S — CID 103495211

IUPACN-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)C1CCN(S(=O)(=O)N(C)CCCN)CC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)12-5-9-15(10-6-12)18(16,17)14(3)8-4-7-13/h11-12H,4-10,13H2,1-3H3
InChIKeyUAPOTYMXNVCISC-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.88
Rot. Bonds6

About N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide

N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 103495211) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
PubChem CID103495211
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide
SMILESCC(C)C1CCN(S(=O)(=O)N(C)CCCN)CC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)12-5-9-15(10-6-12)18(16,17)14(3)8-4-7-13/h11-12H,4-10,13H2,1-3H3
InChIKeyUAPOTYMXNVCISC-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-aminopropyl)-N-methyl-8-azaspiro[4.5]decane-8-sulfonamide
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4-amino-N-methyl-N-propylpiperidine-1-sulfonamide
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N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
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(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide (CID 103495211) is N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide is CC(C)C1CCN(S(=O)(=O)N(C)CCCN)CC1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is UAPOTYMXNVCISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)12-5-9-15(10-6-12)18(16,17)14(3)8-4-7-13/h11-12H,4-10,13H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide?
N-(3-aminopropyl)-N-methyl-4-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.88, 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-methyl-4-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 103495211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).