(3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine

C9H19NS2 — CID 89062783

IUPAC(3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine
SMILESC=C(SC(C)C)[C@@H](N)CCSC
InChIInChI=1S/C9H19NS2/c1-7(2)12-8(3)9(10)5-6-11-4/h7,9H,3,5-6,10H2,1-2,4H3/t9-/m0/s1
InChIKeyNJWZJBOSWBYJOY-VIFPVBQESA-N
MW205.39 g/mol
LogP2.72
Rot. Bonds6

About (3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine

(3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine (PubChem CID 89062783) has the molecular formula C9H19NS2 and a molecular weight of 205.39 g/mol. Its IUPAC name is (3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine
PubChem CID89062783
Molecular FormulaC9H19NS2
Molecular Weight205.39 g/mol
Exact Mass205.10
IUPAC Name(3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine
SMILESC=C(SC(C)C)[C@@H](N)CCSC
InChIInChI=1S/C9H19NS2/c1-7(2)12-8(3)9(10)5-6-11-4/h7,9H,3,5-6,10H2,1-2,4H3/t9-/m0/s1
InChIKeyNJWZJBOSWBYJOY-VIFPVBQESA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-2-fluoro-5-methylsulfanylpent-1-en-3-amine
CID 89843324
1-Ethylsulfanylbut-3-en-2-amine
CID 65588768
1-Ethylsulfanyl-3-methylbut-3-en-2-amine
CID 79177954
(3S)-2,5-bis(methylsulfanyl)pent-1-en-3-amine
CID 88894384
(3S)-5-methylsulfanylpent-1-en-3-amine
CID 88911302
(3S)-2-(dimethyl-lambda3-iodanyl)-5-methylsulfanylpent-1-en-3-amine
CID 89066413
2-Methylidenethiolan-3-amine
CID 89104278
CID 89468861
CID 89468861
CID 89899369
CID 89899369
5-Methylsulfanylpent-1-en-3-amine
CID 90035207
(3S)-3-amino-5-methylsulfanylpent-1-ene-2-thiol
CID 90296539
(E)-4-ethylsulfanylhex-3-en-2-amine
CID 145603943

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine?
The IUPAC name of (3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine (CID 89062783) is (3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine.
What is the SMILES notation for (3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine?
The canonical SMILES for (3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine is C=C(SC(C)C)[C@@H](N)CCSC.
What is the InChIKey of (3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine?
The InChIKey is NJWZJBOSWBYJOY-VIFPVBQESA-N. The full InChI is InChI=1S/C9H19NS2/c1-7(2)12-8(3)9(10)5-6-11-4/h7,9H,3,5-6,10H2,1-2,4H3/t9-/m0/s1.
What are the key properties of (3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine?
(3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine has a molecular weight of 205.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methylsulfanyl-2-propan-2-ylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 89062783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).