(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine

C10H21NS — CID 89375942

IUPAC(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
SMILESC=C(C)[C@H](CCSC)NCCC
InChIInChI=1S/C10H21NS/c1-5-7-11-10(9(2)3)6-8-12-4/h10-11H,2,5-8H2,1,3-4H3/t10-/m0/s1
InChIKeyKYCMTPHBEDLZTR-JTQLQIEISA-N
MW187.35 g/mol
LogP2.68
Rot. Bonds7

About (3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine

(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine (PubChem CID 89375942) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
PubChem CID89375942
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
SMILESC=C(C)[C@H](CCSC)NCCC
InChIInChI=1S/C10H21NS/c1-5-7-11-10(9(2)3)6-8-12-4/h10-11H,2,5-8H2,1,3-4H3/t10-/m0/s1
InChIKeyKYCMTPHBEDLZTR-JTQLQIEISA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79178395
5-methylidene-1-methylsulfanyl-N-propylheptan-3-amine
CID 105163897
2,5-dimethyl-N-propylhex-1-en-3-amine
CID 79189953
4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 62065657
3-methyl-N-propylbut-3-en-2-amine
CID 79177488
1-(1,3-dioxolan-2-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103546934
3-methyl-1-phenyl-N-propylbut-3-en-2-amine
CID 79191049
2,5,7,7-tetramethyl-N-propyloct-1-en-3-amine
CID 105005536
N-ethyl-6-methyl-1-methylsulfanylhept-6-en-3-amine
CID 105182606
ethyl 2-[2-(diethylamino)ethylamino]-4-methylsulfanylbutanoate
CID 54890480
(2S)-N-methyl-4-methylsulfanyl-2-(octylamino)-N-sulfanylbutanamide
CID 88782162
1-chlorododecane;2-(hexadecylamino)-4-methylsulfanylbutanoic acid
CID 175569587

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine?
The IUPAC name of (3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine (CID 89375942) is (3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine.
What is the SMILES notation for (3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine?
The canonical SMILES for (3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine is C=C(C)[C@H](CCSC)NCCC.
What is the InChIKey of (3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine?
The InChIKey is KYCMTPHBEDLZTR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NS/c1-5-7-11-10(9(2)3)6-8-12-4/h10-11H,2,5-8H2,1,3-4H3/t10-/m0/s1.
What are the key properties of (3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine?
(3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine has a molecular weight of 187.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-5-methylsulfanyl-N-propylpent-1-en-3-amine is sourced from PubChem (CID 89375942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).