N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine

C16H31NO3S — CID 103987433

IUPACN-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C16H31NO3S/c1-3-8-17-16(10-13-7-9-20-12-13)14-5-4-6-15(11-14)21(2,18)19/h13-17H,3-12H2,1-2H3
InChIKeyUERCODDNSUYCFJ-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.38
Rot. Bonds7

About N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine

N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 103987433) has the molecular formula C16H31NO3S and a molecular weight of 317.50 g/mol. Its IUPAC name is N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID103987433
Molecular FormulaC16H31NO3S
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC NameN-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESCCCNC(CC1CCOC1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C16H31NO3S/c1-3-8-17-16(10-13-7-9-20-12-13)14-5-4-6-15(11-14)21(2,18)19/h13-17H,3-12H2,1-2H3
InChIKeyUERCODDNSUYCFJ-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-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

3-methoxy-3-methyl-1-(3-methylsulfonylcyclohexyl)-N-propylbutan-1-amine
CID 103028585
2-cycloheptyl-N-methyl-1-(3-methylsulfonylcyclohexyl)ethanamine
CID 105014178
[2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethyl]hydrazine
CID 105324224
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
N-[(3-methylsulfonylcyclohexyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627783
N-[1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethyl]propan-1-amine
CID 115863402
[(3-methylsulfonylcyclohexyl)-(oxolan-3-yl)methyl]hydrazine
CID 105229423
N-ethyl-1-(3-methylsulfonylcyclohexyl)octan-1-amine
CID 105014365
N-ethyl-3-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 105014219
N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine
CID 106692659
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-(3,5-dimethylcyclohexyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 113362179

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine (CID 103987433) is N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine is CCCNC(CC1CCOC1)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is UERCODDNSUYCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3S/c1-3-8-17-16(10-13-7-9-20-12-13)14-5-4-6-15(11-14)21(2,18)19/h13-17H,3-12H2,1-2H3.
What are the key properties of N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine?
N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 317.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 103987433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).