N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine

C13H25NOS — CID 106495862

IUPACN-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)SCC1CCCO1
InChIInChI=1S/C13H25NOS/c1-11(9-14-12-5-2-3-6-12)16-10-13-7-4-8-15-13/h11-14H,2-10H2,1H3
InChIKeyBUFKHAGVXBBIPM-UHFFFAOYSA-N
MW243.42 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine

N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine (PubChem CID 106495862) has the molecular formula C13H25NOS and a molecular weight of 243.42 g/mol. Its IUPAC name is N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine
PubChem CID106495862
Molecular FormulaC13H25NOS
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC NameN-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)SCC1CCCO1
InChIInChI=1S/C13H25NOS/c1-11(9-14-12-5-2-3-6-12)16-10-13-7-4-8-15-13/h11-14H,2-10H2,1H3
InChIKeyBUFKHAGVXBBIPM-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-(oxolan-2-ylmethylsulfanyl)propan-1-amine
CID 66242081
N-[2-methyl-3-(oxolan-2-yl)propyl]cyclobutanamine
CID 114899221
N-[2-(oxolan-2-ylmethoxy)propyl]cyclopentanamine
CID 62572194
N-[2-(oxolan-2-ylmethoxy)propyl]cyclohexanamine
CID 62572342
N-[2-(oxolan-2-ylmethylsulfanyl)propyl]aniline
CID 106495831
N-[2-(2-methyloxolan-3-yl)sulfanylpropyl]cyclohexanamine
CID 107756825
methyl 2-amino-2-methyl-4-(oxolan-2-ylmethylsulfanyl)pentanoate
CID 106495684
N-[2-(oxolan-2-ylmethyl)butyl]cyclopropanamine
CID 62548272
2-methyl-2-(methylamino)-4-(oxolan-2-ylmethylsulfanyl)pentanoic acid
CID 106495532
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine?
The IUPAC name of N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine (CID 106495862) is N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine is CC(CNC1CCCC1)SCC1CCCO1.
What is the InChIKey of N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine?
The InChIKey is BUFKHAGVXBBIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NOS/c1-11(9-14-12-5-2-3-6-12)16-10-13-7-4-8-15-13/h11-14H,2-10H2,1H3.
What are the key properties of N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine?
N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine has a molecular weight of 243.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-ylmethylsulfanyl)propyl]cyclopentanamine is sourced from PubChem (CID 106495862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).