(2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol

C10H20N2S — CID 143524005

IUPAC(2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol
SMILESC=C(/C=C\C)NCCC[C@H](S)CN
InChIInChI=1S/C10H20N2S/c1-3-5-9(2)12-7-4-6-10(13)8-11/h3,5,10,12-13H,2,4,6-8,11H2,1H3/b5-3-/t10-/m0/s1
InChIKeyUAIRZYIQVIBYRE-ATPLWMGHSA-N
MW200.35 g/mol
LogP1.70
Rot. Bonds7

About (2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol

(2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol (PubChem CID 143524005) has the molecular formula C10H20N2S and a molecular weight of 200.35 g/mol. Its IUPAC name is (2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol.

Molecular Properties

Compound Name(2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol
PubChem CID143524005
Molecular FormulaC10H20N2S
Molecular Weight200.35 g/mol
Exact Mass200.13
IUPAC Name(2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol
SMILESC=C(/C=C\C)NCCC[C@H](S)CN
InChIInChI=1S/C10H20N2S/c1-3-5-9(2)12-7-4-6-10(13)8-11/h3,5,10,12-13H,2,4,6-8,11H2,1H3/b5-3-/t10-/m0/s1
InChIKeyUAIRZYIQVIBYRE-ATPLWMGHSA-N
XLogP1.70
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-N-[6-[[(3E)-penta-1,3-dien-2-yl]amino]hexyl]hex-5-ene-1,5-diamine
CID 146259458
(3E)-N-propan-2-ylpenta-1,3-dien-2-amine
CID 126549325
3-amino-N-(4-hydroxypentyl)-2-methylpropanamide
CID 106134399
4-N-methyl-5-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]hex-5-ene-1,4,5-triamine
CID 166817727
5-[(1R,3S)-2,2-difluoro-1,3-dimethylcyclopropyl]-3-methyl-4-N-(methylideneamino)-1-N-[(3Z)-penta-1,3-dien-2-yl]pentane-1,4-diamine
CID 167190728
N-(7-methyloctyl)but-2-enamide
CID 112727082
(E)-N-pent-4-enylbut-2-enamide
CID 122404178
3-aminopropane-1,2-dithiol
CID 54490245
(4Z)-3-methylidene-N-propylhexa-1,4-dien-2-amine
CID 88586508
2-(aminomethyl)-4,4-dimethyl-N-(4-methylpentyl)pentanamide
CID 107471697
N'-[(3E,7Z)-4-difluorophosphanyloxynona-1,3,7-trien-2-yl]butane-1,4-diamine
CID 174024419
3-[(3Z)-penta-1,3-dien-2-yl]oxypropan-1-ol
CID 177319356

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol?
The IUPAC name of (2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol (CID 143524005) is (2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol.
What is the SMILES notation for (2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol?
The canonical SMILES for (2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol is C=C(/C=C\C)NCCC[C@H](S)CN.
What is the InChIKey of (2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol?
The InChIKey is UAIRZYIQVIBYRE-ATPLWMGHSA-N. The full InChI is InChI=1S/C10H20N2S/c1-3-5-9(2)12-7-4-6-10(13)8-11/h3,5,10,12-13H,2,4,6-8,11H2,1H3/b5-3-/t10-/m0/s1.
What are the key properties of (2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol?
(2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol has a molecular weight of 200.35 g/mol, XLogP of 1.70, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-5-[[(3Z)-penta-1,3-dien-2-yl]amino]pentane-2-thiol is sourced from PubChem (CID 143524005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).