(2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine

C9H19NOS — CID 125477067

IUPAC(2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine
SMILESCCCC/C=C/[S@](=O)C[C@H](C)N
InChIInChI=1S/C9H19NOS/c1-3-4-5-6-7-12(11)8-9(2)10/h6-7,9H,3-5,8,10H2,1-2H3/b7-6+/t9-,12-/m0/s1
InChIKeySHDTVEYJEIVJAL-NQSFLYKLSA-N
MW189.32 g/mol
LogP1.79
Rot. Bonds6

About (2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine

(2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine (PubChem CID 125477067) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is (2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine
PubChem CID125477067
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name(2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine
SMILESCCCC/C=C/[S@](=O)C[C@H](C)N
InChIInChI=1S/C9H19NOS/c1-3-4-5-6-7-12(11)8-9(2)10/h6-7,9H,3-5,8,10H2,1-2H3/b7-6+/t9-,12-/m0/s1
InChIKeySHDTVEYJEIVJAL-NQSFLYKLSA-N
XLogP1.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-ethylsulfinylpropan-2-amine
CID 88956944
non-4-en-3-amine
CID 123679589
1-methylsulfinyloctadec-1-ene
CID 54362991
(Z)-dodec-6-en-2-amine
CID 55253643
(E)-dodec-4-en-2-amine
CID 55254669
dec-5-ene;trihydrobromide
CID 175802238
[(Z)-hex-1-enyl]sulfinylbenzene
CID 11275798
(E,2S)-2-aminooct-3-enoic acid
CID 134212552
(2R)-1-methylsulfinylpropan-2-amine
CID 88956942
hept-1-en-1-amine
CID 73447107
(E)-hept-2-en-1-amine
CID 10779517
(Z)-2-methyloct-3-ene;octane
CID 159051061

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine?
The IUPAC name of (2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine (CID 125477067) is (2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine.
What is the SMILES notation for (2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine?
The canonical SMILES for (2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine is CCCC/C=C/[S@](=O)C[C@H](C)N.
What is the InChIKey of (2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine?
The InChIKey is SHDTVEYJEIVJAL-NQSFLYKLSA-N. The full InChI is InChI=1S/C9H19NOS/c1-3-4-5-6-7-12(11)8-9(2)10/h6-7,9H,3-5,8,10H2,1-2H3/b7-6+/t9-,12-/m0/s1.
What are the key properties of (2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine?
(2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine has a molecular weight of 189.32 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(R)-[(E)-hex-1-enyl]sulfinyl]propan-2-amine is sourced from PubChem (CID 125477067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).