N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine

C6H15NOS — CID 144988146

IUPACN-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine
SMILESCC(C)NCC[S@@](C)=O
InChIInChI=1S/C6H15NOS/c1-6(2)7-4-5-9(3)8/h6-7H,4-5H2,1-3H3/t9-/m1/s1
InChIKeyPVNDPKRJXLVHGI-SECBINFHSA-N
MW149.26 g/mol
LogP0.36
Rot. Bonds4

About N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine

N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine (PubChem CID 144988146) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine
PubChem CID144988146
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC NameN-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine
SMILESCC(C)NCC[S@@](C)=O
InChIInChI=1S/C6H15NOS/c1-6(2)7-4-5-9(3)8/h6-7H,4-5H2,1-3H3/t9-/m1/s1
InChIKeyPVNDPKRJXLVHGI-SECBINFHSA-N
XLogP0.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-Methanesulfonylpropan-2-yl)(methyl)amine
CID 54592895
[1-(Ethanesulfonyl)propan-2-yl](ethyl)amine
CID 54593046
(3-Methanesulfonylbutan-2-yl)(methyl)amine
CID 54593119
1-Methanesulfinylpropan-2-amine
CID 58684000
(2-Methanesulfonylethyl)(propan-2-yl)amine
CID 60708370
N-(2-methanesulfonylethyl)cyclopropanamine
CID 60712135
Ethyl(1-methanesulfonylpropan-2-yl)amine
CID 54592972
4-Methanesulfinylbutan-2-amine
CID 54595491
3-(Methylamino)thietane 1,1-dioxide
CID 84082940
5-Methyl-1lambda4,4-thiazepan-1-one
CID 66234209
N-(2-fluoroethyl)-1-methylsulfonylpropan-2-amine
CID 80695841
1,1-difluoro-N-(2-methylsulfinylethyl)propan-2-amine
CID 102870071

Frequently Asked Questions

What is the IUPAC name of N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine (CID 144988146) is N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine is CC(C)NCC[S@@](C)=O.
What is the InChIKey of N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine?
The InChIKey is PVNDPKRJXLVHGI-SECBINFHSA-N. The full InChI is InChI=1S/C6H15NOS/c1-6(2)7-4-5-9(3)8/h6-7H,4-5H2,1-3H3/t9-/m1/s1.
What are the key properties of N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine?
N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine has a molecular weight of 149.26 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(R)-methylsulfinyl]ethyl]propan-2-amine is sourced from PubChem (CID 144988146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).