(1S)-1-(1,4-oxathian-2-yl)propan-1-amine

C7H15NOS — CID 104932260

IUPAC(1S)-1-(1,4-oxathian-2-yl)propan-1-amine
SMILESCC[C@H](N)C1CSCCO1
InChIInChI=1S/C7H15NOS/c1-2-6(8)7-5-10-4-3-9-7/h6-7H,2-5,8H2,1H3/t6-,7?/m0/s1
InChIKeyXZKXOJHJUCWQHF-PKPIPKONSA-N
MW161.27 g/mol
LogP0.86
Rot. Bonds2

About (1S)-1-(1,4-oxathian-2-yl)propan-1-amine

(1S)-1-(1,4-oxathian-2-yl)propan-1-amine (PubChem CID 104932260) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is (1S)-1-(1,4-oxathian-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1,4-oxathian-2-yl)propan-1-amine
PubChem CID104932260
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC Name(1S)-1-(1,4-oxathian-2-yl)propan-1-amine
SMILESCC[C@H](N)C1CSCCO1
InChIInChI=1S/C7H15NOS/c1-2-6(8)7-5-10-4-3-9-7/h6-7H,2-5,8H2,1H3/t6-,7?/m0/s1
InChIKeyXZKXOJHJUCWQHF-PKPIPKONSA-N
XLogP0.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,4-Oxathian-2-yl)methanamine
CID 79902582
4-Methoxythian-3-amine
CID 82417682
4-Methylsulfanyloxan-3-amine
CID 123901850
(3R,6S)-6-(methylsulfanylmethyl)oxan-3-amine
CID 134289698
1-(1-Tert-butylsulfanylpropan-2-yloxy)propan-2-amine
CID 167226509
1-(1-Propan-2-ylsulfanylpropan-2-yloxy)butan-2-amine
CID 170120030
2-Ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine
CID 63072027
2-Ethoxy-3-(oxan-4-ylsulfanyl)propan-1-amine
CID 63072556
3-Ethylsulfanyloxan-4-amine
CID 64613191
2-(Oxan-4-ylsulfanyl)pentan-3-amine
CID 64625775
4-(Oxan-4-ylsulfanyl)butan-2-amine
CID 64625779
1-(Oxan-4-ylsulfanyl)butan-2-amine
CID 64626555

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,4-oxathian-2-yl)propan-1-amine?
The IUPAC name of (1S)-1-(1,4-oxathian-2-yl)propan-1-amine (CID 104932260) is (1S)-1-(1,4-oxathian-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(1,4-oxathian-2-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(1,4-oxathian-2-yl)propan-1-amine is CC[C@H](N)C1CSCCO1.
What is the InChIKey of (1S)-1-(1,4-oxathian-2-yl)propan-1-amine?
The InChIKey is XZKXOJHJUCWQHF-PKPIPKONSA-N. The full InChI is InChI=1S/C7H15NOS/c1-2-6(8)7-5-10-4-3-9-7/h6-7H,2-5,8H2,1H3/t6-,7?/m0/s1.
What are the key properties of (1S)-1-(1,4-oxathian-2-yl)propan-1-amine?
(1S)-1-(1,4-oxathian-2-yl)propan-1-amine has a molecular weight of 161.27 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,4-oxathian-2-yl)propan-1-amine is sourced from PubChem (CID 104932260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).