N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine

C14H30N2O2S — CID 63878575

IUPACN-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
SMILESCCCCS(=O)(=O)N1CCC(CNCC(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-4-5-10-19(17,18)16-8-6-14(7-9-16)12-15-11-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyQGJUCODMSWPPQM-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.07
Rot. Bonds8

About N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine

N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine (PubChem CID 63878575) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
PubChem CID63878575
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
SMILESCCCCS(=O)(=O)N1CCC(CNCC(C)C)CC1
InChIInChI=1S/C14H30N2O2S/c1-4-5-10-19(17,18)16-8-6-14(7-9-16)12-15-11-13(2)3/h13-15H,4-12H2,1-3H3
InChIKeyQGJUCODMSWPPQM-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine 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-[(1-ethylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878751
N-[(1-butylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878962
4-[(2-methylpropylamino)methyl]-N-propylpiperidine-1-sulfonamide
CID 114813088
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
N-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63879103
1-(1-butylsulfonylpyrrolidin-3-yl)-N-methylmethanamine
CID 63264016
4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoic acid
CID 80552508
methyl 4-[4-(ethylaminomethyl)piperidin-1-yl]sulfonylbutanoate
CID 80552640
1-butylsulfonylpiperidine-4-carbothioamide
CID 39364305
N-[(4-butylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 63505259
2-methoxy-N-[(1-propylsulfonylpiperidin-4-yl)methyl]ethanamine
CID 63878755
N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848436

Frequently Asked Questions

What is the IUPAC name of N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine (CID 63878575) is N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine is CCCCS(=O)(=O)N1CCC(CNCC(C)C)CC1.
What is the InChIKey of N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is QGJUCODMSWPPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-4-5-10-19(17,18)16-8-6-14(7-9-16)12-15-11-13(2)3/h13-15H,4-12H2,1-3H3.
What are the key properties of N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine?
N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 290.47 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63878575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).