(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine

C10H19NO2S — CID 97358805

IUPAC(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine
SMILESC=CCC[C@H](C)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-3-4-5-9(2)11-10-6-7-14(12,13)8-10/h3,9-11H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKeyXNSCVJFHKGYIIE-UWVGGRQHSA-N
MW217.33 g/mol
LogP1.12
Rot. Bonds5

About (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine

(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine (PubChem CID 97358805) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine
PubChem CID97358805
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine
SMILESC=CCC[C@H](C)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H19NO2S/c1-3-4-5-9(2)11-10-6-7-14(12,13)8-10/h3,9-11H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKeyXNSCVJFHKGYIIE-UWVGGRQHSA-N
XLogP1.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine with MolForge

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Related Compounds

N-(6-methylhept-5-en-2-yl)-1,1-dioxothiolan-3-amine
CID 115707641
N-hept-6-en-3-yl-1,1-dioxothiolan-3-amine
CID 115707649
N-hex-5-en-2-ylcyclopropanamine
CID 104581323
N-hexan-2-yl-1,1-dioxothiolan-3-amine
CID 43757079
2-[(1,1-dioxothiolan-3-yl)amino]propan-1-ol
CID 61058037
N-hex-5-en-2-yl-1-methylpiperidin-4-amine
CID 75525498
N-hex-5-en-2-yl-4-methylcyclohexan-1-amine
CID 104581515
(3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine
CID 97358828
N-hex-5-en-2-yloxan-4-amine
CID 104581845
4-(hex-5-en-2-ylamino)cyclohexan-1-ol
CID 75525485
N-hex-5-en-2-yloxetan-3-amine
CID 104655767
N-heptan-4-yl-1,1-dioxothiolan-3-amine
CID 43191007

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine?
The IUPAC name of (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine (CID 97358805) is (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine.
What is the SMILES notation for (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine?
The canonical SMILES for (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine is C=CCC[C@H](C)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine?
The InChIKey is XNSCVJFHKGYIIE-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-4-5-9(2)11-10-6-7-14(12,13)8-10/h3,9-11H,1,4-8H2,2H3/t9-,10-/m0/s1.
What are the key properties of (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine?
(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine has a molecular weight of 217.33 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 97358805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).