N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide

C16H34N2O2S — CID 107870369

IUPACN,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)CC1CCCCN1
InChIInChI=1S/C16H34N2O2S/c1-14(2)8-11-18(12-9-15(3)4)21(19,20)13-16-7-5-6-10-17-16/h14-17H,5-13H2,1-4H3
InChIKeyBAPTZQUEDKHAES-UHFFFAOYSA-N
MW318.53 g/mol
LogP2.85
Rot. Bonds9

About N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide

N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 107870369) has the molecular formula C16H34N2O2S and a molecular weight of 318.53 g/mol. Its IUPAC name is N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID107870369
Molecular FormulaC16H34N2O2S
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC NameN,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCC(C)CCN(CCC(C)C)S(=O)(=O)CC1CCCCN1
InChIInChI=1S/C16H34N2O2S/c1-14(2)8-11-18(12-9-15(3)4)21(19,20)13-16-7-5-6-10-17-16/h14-17H,5-13H2,1-4H3
InChIKeyBAPTZQUEDKHAES-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-(2-methylpropyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55001507
N,N-bis(2-methylpropyl)-2-piperidin-2-ylethanesulfonamide
CID 61378664
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butane-1-sulfonamide
CID 63855870
(2S)-2-(2-methylpropylsulfonylmethyl)piperidine
CID 97301330
2-(2-methylpropylsulfonylmethyl)piperidine
CID 71777978
N-[2-(dimethylamino)ethyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55227545
N-methyl-1-piperidin-2-yl-N-(2-propan-2-yloxyethyl)methanesulfonamide
CID 81057169
2-(3-methylbutylsulfonylmethyl)pyrrolidine
CID 115071189
N,3-dimethyl-N-(2-piperidin-2-ylethyl)butan-1-amine
CID 61429136
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
N,2-dimethyl-N-(piperidin-2-ylmethyl)propane-1-sulfonamide
CID 106630556
N-(cyclobutylmethyl)-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 55125771

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide (CID 107870369) is N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide is CC(C)CCN(CCC(C)C)S(=O)(=O)CC1CCCCN1.
What is the InChIKey of N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is BAPTZQUEDKHAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2S/c1-14(2)8-11-18(12-9-15(3)4)21(19,20)13-16-7-5-6-10-17-16/h14-17H,5-13H2,1-4H3.
What are the key properties of N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide?
N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 318.53 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-methylbutyl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 107870369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).