3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine

C13H25NOS — CID 115724680

IUPAC3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine
SMILESCSC1CCC(NC(C)CC2CCCO2)C1
InChIInChI=1S/C13H25NOS/c1-10(8-12-4-3-7-15-12)14-11-5-6-13(9-11)16-2/h10-14H,3-9H2,1-2H3
InChIKeyBBCPDMSHNAUMJK-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.82
Rot. Bonds5

About 3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine

3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine (PubChem CID 115724680) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine
PubChem CID115724680
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine
SMILESCSC1CCC(NC(C)CC2CCCO2)C1
InChIInChI=1S/C13H25NOS/c1-10(8-12-4-3-7-15-12)14-11-5-6-13(9-11)16-2/h10-14H,3-9H2,1-2H3
InChIKeyBBCPDMSHNAUMJK-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
N-(1-methoxypropan-2-yl)-3-methylsulfanylcyclopentan-1-amine
CID 115664082
N-(1-cyclopropylethyl)-3-methylsulfanylcyclopentan-1-amine
CID 115677390
N-[(2-methylcyclopropyl)methyl]-1-(oxolan-2-yl)propan-2-amine
CID 115713100
1-(oxolan-2-yl)-N-[1-(oxolan-2-yl)ethyl]propan-2-amine
CID 115709344
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115722687
N-(1-cyclobutylpropan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
CID 115725131
N-(1-ethylsulfanylpropan-2-yl)-1-(oxolan-2-yl)propan-2-amine
CID 115725763
3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 115721245
1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 115889004
4-[2-[(3-methylsulfanylcyclopentyl)amino]propyl]phenol
CID 114122743
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine (CID 115724680) is 3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine is CSC1CCC(NC(C)CC2CCCO2)C1.
What is the InChIKey of 3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine?
The InChIKey is BBCPDMSHNAUMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-10(8-12-4-3-7-15-12)14-11-5-6-13(9-11)16-2/h10-14H,3-9H2,1-2H3.
What are the key properties of 3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine?
3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine has a molecular weight of 243.42 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[1-(oxolan-2-yl)propan-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 115724680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).