N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide

C10H21ClN2O2S — CID 65036779

IUPACN-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
SMILESCC(CCl)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C10H21ClN2O2S/c1-9-4-3-5-13(8-9)16(14,15)12-7-10(2)6-11/h9-10,12H,3-8H2,1-2H3
InChIKeyGSMXDDLXJIJNOG-UHFFFAOYSA-N
MW268.81 g/mol
LogP1.43
Rot. Bonds5

About N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide

N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide (PubChem CID 65036779) has the molecular formula C10H21ClN2O2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
PubChem CID65036779
Molecular FormulaC10H21ClN2O2S
Molecular Weight268.81 g/mol
Exact Mass268.10
IUPAC NameN-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide
SMILESCC(CCl)CNS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C10H21ClN2O2S/c1-9-4-3-5-13(8-9)16(14,15)12-7-10(2)6-11/h9-10,12H,3-8H2,1-2H3
InChIKeyGSMXDDLXJIJNOG-UHFFFAOYSA-N
XLogP1.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
N-[(2R)-2-(ethylamino)propyl]-3-methylpiperidine-1-sulfonamide;hydrochloride
CID 120664457
N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
CID 43606393
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 62665582
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
N-[(3-chlorocyclobutyl)methyl]-3-methylpiperidine-1-sulfonamide
CID 66006965
N-[(2S)-2-[(3S)-3-methylpiperidin-1-yl]propyl]piperidine-1-sulfonamide
CID 94061348
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
CID 103836469
3-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 81066565
N-(4-chloro-2-methylbutyl)pyrrolidine-1-sulfonamide
CID 66090656

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide (CID 65036779) is N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide is CC(CCl)CNS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide?
The InChIKey is GSMXDDLXJIJNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClN2O2S/c1-9-4-3-5-13(8-9)16(14,15)12-7-10(2)6-11/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide?
N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide has a molecular weight of 268.81 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylpropyl)-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 65036779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).