1-butyl-4-(dimethylsulfamoylamino)piperidine

C11H24N3O2S- — CID 58602933

IUPAC1-butyl-4-(dimethylsulfamoylamino)piperidine
SMILES[CH2-]CCCN1CCC(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H24N3O2S/c1-4-5-8-14-9-6-11(7-10-14)12-17(15,16)13(2)3/h11-12H,1,4-10H2,2-3H3/q-1
InChIKeyJPQGLWONXABIRR-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.46
Rot. Bonds6

About 1-butyl-4-(dimethylsulfamoylamino)piperidine

1-butyl-4-(dimethylsulfamoylamino)piperidine (PubChem CID 58602933) has the molecular formula C11H24N3O2S- and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-butyl-4-(dimethylsulfamoylamino)piperidine.

Molecular Properties

Compound Name1-butyl-4-(dimethylsulfamoylamino)piperidine
PubChem CID58602933
Molecular FormulaC11H24N3O2S-
Molecular Weight262.40 g/mol
Exact Mass262.16
IUPAC Name1-butyl-4-(dimethylsulfamoylamino)piperidine
SMILES[CH2-]CCCN1CCC(NS(=O)(=O)N(C)C)CC1
InChIInChI=1S/C11H24N3O2S/c1-4-5-8-14-9-6-11(7-10-14)12-17(15,16)13(2)3/h11-12H,1,4-10H2,2-3H3/q-1
InChIKeyJPQGLWONXABIRR-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': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(Propan-2-yl)piperidin-4-amine
CID 3163333
1-Butylpiperidin-4-amine
CID 12262820
1-Propylpiperidin-4-amine
CID 541730
4-Aminopiperidine-1-sulfonamide hydrochloride
CID 91623604
3-(Piperidin-1-yl)butan-1-amine
CID 21890114
1-(Sec-butyl)piperidin-4-amine
CID 24706238
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-propylpiperidine-1-sulfonamide
CID 43243224
1-(3-aminopropyl)-N,N-dimethylpiperidin-4-amine
CID 43585782
(3R)-3-amino-N,N-dimethylpiperidine-1-sulfonamide hydrochloride
CID 119031274

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(dimethylsulfamoylamino)piperidine?
The IUPAC name of 1-butyl-4-(dimethylsulfamoylamino)piperidine (CID 58602933) is 1-butyl-4-(dimethylsulfamoylamino)piperidine.
What is the SMILES notation for 1-butyl-4-(dimethylsulfamoylamino)piperidine?
The canonical SMILES for 1-butyl-4-(dimethylsulfamoylamino)piperidine is [CH2-]CCCN1CCC(NS(=O)(=O)N(C)C)CC1.
What is the InChIKey of 1-butyl-4-(dimethylsulfamoylamino)piperidine?
The InChIKey is JPQGLWONXABIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N3O2S/c1-4-5-8-14-9-6-11(7-10-14)12-17(15,16)13(2)3/h11-12H,1,4-10H2,2-3H3/q-1.
What are the key properties of 1-butyl-4-(dimethylsulfamoylamino)piperidine?
1-butyl-4-(dimethylsulfamoylamino)piperidine 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 1-butyl-4-(dimethylsulfamoylamino)piperidine is sourced from PubChem (CID 58602933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).