N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine

C16H32N2O2S — CID 63880164

IUPACN-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-2-11-17-13-16-10-6-7-12-18(16)21(19,20)14-15-8-4-3-5-9-15/h15-17H,2-14H2,1H3
InChIKeyCSCIHEITKFAYSW-UHFFFAOYSA-N
MW316.51 g/mol
LogP2.75
Rot. Bonds7

About N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine

N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 63880164) has the molecular formula C16H32N2O2S and a molecular weight of 316.51 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID63880164
Molecular FormulaC16H32N2O2S
Molecular Weight316.51 g/mol
Exact Mass316.22
IUPAC NameN-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1S(=O)(=O)CC1CCCCC1
InChIInChI=1S/C16H32N2O2S/c1-2-11-17-13-16-10-6-7-12-18(16)21(19,20)14-15-8-4-3-5-9-15/h15-17H,2-14H2,1H3
InChIKeyCSCIHEITKFAYSW-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 63877750
N-[[1-(4,4,4-trifluorobutylsulfonyl)piperidin-2-yl]methyl]propan-1-amine
CID 83047909
2-(bromomethyl)-1-(cyclopropylmethylsulfonyl)azepane
CID 116639693
N-(2,2-difluoroethyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115409161
3-amino-N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584411
N-(3,3-dimethylbutan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 106079132
N-(3-methylcyclopentyl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 114551988
2-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]acetic acid
CID 61453655
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115988619
1-(bromomethylsulfonyl)-2-ethylpiperidine
CID 83093366
2-[1-(cyclopropylmethylsulfonyl)piperidin-2-yl]ethanol
CID 64988050
3-[1-(cyclohexylmethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62467761

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine (CID 63880164) is N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1S(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is CSCIHEITKFAYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2S/c1-2-11-17-13-16-10-6-7-12-18(16)21(19,20)14-15-8-4-3-5-9-15/h15-17H,2-14H2,1H3.
What are the key properties of N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 316.51 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethylsulfonyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63880164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).