4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide

C11H24N3O2S- — CID 58603003

IUPAC4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide
SMILES[CH2-]CCCNC1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H24N3O2S/c1-4-5-8-12-11-6-9-14(10-7-11)17(15,16)13(2)3/h11-12H,1,4-10H2,2-3H3/q-1
InChIKeyKSQYMAYOOPPUHD-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.46
Rot. Bonds6

About 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide

4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 58603003) has the molecular formula C11H24N3O2S- and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID58603003
Molecular FormulaC11H24N3O2S-
Molecular Weight262.40 g/mol
Exact Mass262.16
IUPAC Name4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide
SMILES[CH2-]CCCNC1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H24N3O2S/c1-4-5-8-12-11-6-9-14(10-7-11)17(15,16)13(2)3/h11-12H,1,4-10H2,2-3H3/q-1
InChIKeyKSQYMAYOOPPUHD-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(Piperidin-4-yl)methanesulfonamide
CID 16227261
N-(Propan-2-yl)piperidin-4-amine
CID 22394351
4-Aminopiperidine-1-sulfonamide hydrochloride
CID 91623604
N-pentylpiperidin-4-amine
CID 44592820
N-Cyclohexyl-N-methyl-1-piperazinesulfonamide
CID 16228164
N-methyl-N-(piperidin-4-yl)methanesulfonamide hydrochloride
CID 45792536
4-amino-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 66819714
Methyl[(piperidin-4-yl)sulfamoyl]amine hydrochloride
CID 91643355
N-(piperidin-4-yl)aminosulfonamide hydrochloride
CID 126805121
N-Methyl-1-(methylsulfonyl)-4-piperidinamine
CID 18758393
N-[2-(piperidin-2-yl)ethyl]methanesulfonamide
CID 4090533
N-propylpiperidine-1-sulfonamide
CID 43243224

Frequently Asked Questions

What is the IUPAC name of 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide (CID 58603003) is 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide is [CH2-]CCCNC1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is KSQYMAYOOPPUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N3O2S/c1-4-5-8-12-11-6-9-14(10-7-11)17(15,16)13(2)3/h11-12H,1,4-10H2,2-3H3/q-1.
What are the key properties of 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide?
4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 262.40 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylamino)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 58603003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).