(2R)-1-methylsulfanylpentan-2-amine

C6H15NS — CID 94552222

IUPAC(2R)-1-methylsulfanylpentan-2-amine
SMILESCCC[C@@H](N)CSC
InChIInChI=1S/C6H15NS/c1-3-4-6(7)5-8-2/h6H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKeyBCXCESSDCFKCQR-ZCFIWIBFSA-N
MW133.26 g/mol
LogP1.48
Rot. Bonds4

About (2R)-1-methylsulfanylpentan-2-amine

(2R)-1-methylsulfanylpentan-2-amine (PubChem CID 94552222) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is (2R)-1-methylsulfanylpentan-2-amine.

Molecular Properties

Compound Name(2R)-1-methylsulfanylpentan-2-amine
PubChem CID94552222
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name(2R)-1-methylsulfanylpentan-2-amine
SMILESCCC[C@@H](N)CSC
InChIInChI=1S/C6H15NS/c1-3-4-6(7)5-8-2/h6H,3-5,7H2,1-2H3/t6-/m1/s1
InChIKeyBCXCESSDCFKCQR-ZCFIWIBFSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfanyloctan-2-amine
CID 62693396
5-methyl-1-methylsulfanylhexan-2-amine
CID 62693394
azane;heptan-4-amine
CID 118430725
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567433
3-(2-aminopentylsulfanyl)propane-1,2-diol
CID 79671997
ethane;hexan-3-amine
CID 143616305
1-cyclopentylsulfanylpentan-2-amine
CID 64628608
ethane;hexan-3-amine;methane
CID 145152462
1-(oxetan-3-ylsulfanyl)pentan-2-amine
CID 79333223
(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
CID 130522075
(4R)-tridecan-4-amine
CID 150614684
1-iodohexan-3-amine
CID 126638870

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylsulfanylpentan-2-amine?
The IUPAC name of (2R)-1-methylsulfanylpentan-2-amine (CID 94552222) is (2R)-1-methylsulfanylpentan-2-amine.
What is the SMILES notation for (2R)-1-methylsulfanylpentan-2-amine?
The canonical SMILES for (2R)-1-methylsulfanylpentan-2-amine is CCC[C@@H](N)CSC.
What is the InChIKey of (2R)-1-methylsulfanylpentan-2-amine?
The InChIKey is BCXCESSDCFKCQR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H15NS/c1-3-4-6(7)5-8-2/h6H,3-5,7H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-1-methylsulfanylpentan-2-amine?
(2R)-1-methylsulfanylpentan-2-amine has a molecular weight of 133.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylsulfanylpentan-2-amine is sourced from PubChem (CID 94552222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).