N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine

C15H24ClNO3S — CID 106692659

IUPACN-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H24ClNO3S/c1-3-9-17-15(13-7-8-14(16)20-13)11-5-4-6-12(10-11)21(2,18)19/h7-8,11-12,15,17H,3-6,9-10H2,1-2H3
InChIKeyNPEWUQKQVILILH-UHFFFAOYSA-N
MW333.88 g/mol
LogP3.58
Rot. Bonds6

About N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine

N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine (PubChem CID 106692659) has the molecular formula C15H24ClNO3S and a molecular weight of 333.88 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine
PubChem CID106692659
Molecular FormulaC15H24ClNO3S
Molecular Weight333.88 g/mol
Exact Mass333.12
IUPAC NameN-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)o1)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C15H24ClNO3S/c1-3-9-17-15(13-7-8-14(16)20-13)11-5-4-6-12(10-11)21(2,18)19/h7-8,11-12,15,17H,3-6,9-10H2,1-2H3
InChIKeyNPEWUQKQVILILH-UHFFFAOYSA-N
XLogP3.58
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.88
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorofuran-2-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106692658
N-[(5-chlorofuran-2-yl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106692125
N-[(5-chlorofuran-2-yl)-(2-phenylcyclopropyl)methyl]propan-1-amine
CID 106693341
N-[1-(3-methylsulfonylcyclohexyl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 103987433
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014378
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014197
3-methoxy-3-methyl-1-(3-methylsulfonylcyclohexyl)-N-propylbutan-1-amine
CID 103028585
[(2-chloro-4-methylphenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 106860095
[(2-chloro-3-fluorophenyl)-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105324237
N-[(3-methylsulfonylcyclohexyl)-(thian-2-yl)methyl]propan-1-amine
CID 80627783
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-methylsulfonylcyclohexyl)methanamine
CID 105014289
N-[(3-methylsulfonylcyclohexyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105168767

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine (CID 106692659) is N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine is CCCNC(c1ccc(Cl)o1)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine?
The InChIKey is NPEWUQKQVILILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3S/c1-3-9-17-15(13-7-8-14(16)20-13)11-5-4-6-12(10-11)21(2,18)19/h7-8,11-12,15,17H,3-6,9-10H2,1-2H3.
What are the key properties of N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine?
N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine has a molecular weight of 333.88 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)-(3-methylsulfonylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 106692659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).