N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine

C10H19NO2S — CID 142228722

IUPACN-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine
SMILESC=C/C=C(\C=C/C(C)C)S(O)(O)NC
InChIInChI=1S/C10H19NO2S/c1-5-6-10(8-7-9(2)3)14(12,13)11-4/h5-9,11-13H,1H2,2-4H3/b8-7-,10-6+
InChIKeyMVTFIAKIUARBOW-SDHBEMGISA-N
MW217.33 g/mol
LogP3.15
Rot. Bonds5

About N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine

N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine (PubChem CID 142228722) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine.

Molecular Properties

Compound NameN-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine
PubChem CID142228722
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine
SMILESC=C/C=C(\C=C/C(C)C)S(O)(O)NC
InChIInChI=1S/C10H19NO2S/c1-5-6-10(8-7-9(2)3)14(12,13)11-4/h5-9,11-13H,1H2,2-4H3/b8-7-,10-6+
InChIKeyMVTFIAKIUARBOW-SDHBEMGISA-N
XLogP3.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E,7Z)-5-ethenyl-N,9-dimethyl-6-prop-2-enylidenedeca-2,4,7-trien-2-amine
CID 142101563
N-methylhepta-1,3,5-triene-4-sulfonamide
CID 123396879
[(3E,5Z)-hepta-1,3,5-trien-4-yl]-trihydroxy-λ4-sulfane
CID 172576373
7-methyl-4-methylideneocta-2,5-diene
CID 123740192
4-methyl-N-prop-2-enoylpent-2-enamide
CID 140774476
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
CID 126583961
(2E)-2-methyl-1-(methylamino)penta-2,4-dien-1-ol
CID 134266797
(3Z)-2-chloro-5-methylhexa-1,3-diene
CID 129234698
(2S,3E)-3-ethenyl-N,2-dimethylhexa-3,5-dien-1-amine
CID 154678805
ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide
CID 143734508
(3E,6E)-4,5-dimethylocta-1,3,6-triene
CID 12533133
(3Z,5E)-6,7-dimethyl-4-propan-2-ylocta-1,3,5-triene
CID 167471627

Frequently Asked Questions

What is the IUPAC name of N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine?
The IUPAC name of N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine (CID 142228722) is N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine.
What is the SMILES notation for N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine?
The canonical SMILES for N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine is C=C/C=C(\C=C/C(C)C)S(O)(O)NC.
What is the InChIKey of N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine?
The InChIKey is MVTFIAKIUARBOW-SDHBEMGISA-N. The full InChI is InChI=1S/C10H19NO2S/c1-5-6-10(8-7-9(2)3)14(12,13)11-4/h5-9,11-13H,1H2,2-4H3/b8-7-,10-6+.
What are the key properties of N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine?
N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine has a molecular weight of 217.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dihydroxy-[(3E,5Z)-7-methylocta-1,3,5-trien-4-yl]-λ4-sulfanyl]methanamine is sourced from PubChem (CID 142228722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).