N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine

C11H21NO2S — CID 115689599

IUPACN-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
SMILESCSC1(CNC2CCOC2)CCOCC1
InChIInChI=1S/C11H21NO2S/c1-15-11(3-6-13-7-4-11)9-12-10-2-5-14-8-10/h10,12H,2-9H2,1H3
InChIKeyBMPSDWICRGDOJP-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.28
Rot. Bonds4

About N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine

N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine (PubChem CID 115689599) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
PubChem CID115689599
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC NameN-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
SMILESCSC1(CNC2CCOC2)CCOCC1
InChIInChI=1S/C11H21NO2S/c1-15-11(3-6-13-7-4-11)9-12-10-2-5-14-8-10/h10,12H,2-9H2,1H3
InChIKeyBMPSDWICRGDOJP-UHFFFAOYSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylsulfanyloxan-4-yl)methyl]oxolan-3-amine
CID 115689513
trans-(1S,3S)-N-[(4-methylsulfanyloxan-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 129381562
2,2,5,5-tetramethyl-N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine
CID 75515369
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine
CID 115690956
4,4-dimethyl-N-[(1-methylsulfanylcyclobutyl)methyl]cyclohexan-1-amine
CID 107267245
N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine
CID 131946632
N-[(1-methylsulfanylcyclopropyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 107267283
N-[(4-methylsulfanyloxan-4-yl)methyl]pentan-3-amine
CID 115892015
(3S)-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]oxolan-3-amine
CID 125444142
(4S)-6-fluoro-N-[(4-methylsulfanyloxan-4-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 97101836
(5S)-8-fluoro-N-[(4-methylsulfanyloxan-4-yl)methyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 99853403
2-[1-[(oxolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115689746

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine?
The IUPAC name of N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine (CID 115689599) is N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine is CSC1(CNC2CCOC2)CCOCC1.
What is the InChIKey of N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine?
The InChIKey is BMPSDWICRGDOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-15-11(3-6-13-7-4-11)9-12-10-2-5-14-8-10/h10,12H,2-9H2,1H3.
What are the key properties of N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine?
N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine has a molecular weight of 231.36 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanyloxan-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 115689599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).