N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide

C9H21N3O2S — CID 28785010

IUPACN-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCCCN)CC1
InChIInChI=1S/C9H21N3O2S/c1-9-3-7-12(8-4-9)15(13,14)11-6-2-5-10/h9,11H,2-8,10H2,1H3
InChIKeyKBNSMGJUJHWMMQ-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.10
Rot. Bonds5

About N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide

N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide (PubChem CID 28785010) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide
PubChem CID28785010
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCCCN)CC1
InChIInChI=1S/C9H21N3O2S/c1-9-3-7-12(8-4-9)15(13,14)11-6-2-5-10/h9,11H,2-8,10H2,1H3
InChIKeyKBNSMGJUJHWMMQ-UHFFFAOYSA-N
XLogP-0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.10
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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Related Compounds

N-(piperidin-4-ylmethyl)methanesulfonamide
CID 5095908
Piperazine, 1-((4-methyl-1-piperidinyl)sulfonyl)-
CID 6458546
4-(2-Aminoethyl)piperidine-1-sulfonamide hydrochloride
CID 12282079
N-(piperidin-3-ylmethyl)aminosulfonamide
CID 21186538
(1-Methanesulfonylpiperidin-4-yl)methanamine hydrochloride
CID 53256363
N-[2-(piperidin-4-yl)ethyl]aminosulfonamide hydrochloride
CID 137945309
4-(Aminomethyl)piperidine-1-sulfonamide hydrochloride
CID 154963565
N,N,4-trimethylpiperidine-1-sulfonamide
CID 224932
N-[2-(1-methylpiperidin-4-yl)ethyl]methanesulfonamide
CID 72025553
N-propylpiperidine-1-sulfonamide
CID 43243224
4-(aminomethyl)-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 71756529
N-cyclopentyl-4-methylpiperidine-1-sulfonamide
CID 43053240

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide (CID 28785010) is N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCCCN)CC1.
What is the InChIKey of N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide?
The InChIKey is KBNSMGJUJHWMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-9-3-7-12(8-4-9)15(13,14)11-6-2-5-10/h9,11H,2-8,10H2,1H3.
What are the key properties of N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide?
N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 28785010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).