2-aminosulfanyl-3-methylpentadecan-2-ol

C16H35NOS — CID 175094628

IUPAC2-aminosulfanyl-3-methylpentadecan-2-ol
SMILESCCCCCCCCCCCCC(C)C(C)(O)SN
InChIInChI=1S/C16H35NOS/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3,18)19-17/h15,18H,4-14,17H2,1-3H3
InChIKeyKLTHOZGHKKRKBK-UHFFFAOYSA-N
MW289.53 g/mol
LogP5.25
Rot. Bonds13

About 2-aminosulfanyl-3-methylpentadecan-2-ol

2-aminosulfanyl-3-methylpentadecan-2-ol (PubChem CID 175094628) has the molecular formula C16H35NOS and a molecular weight of 289.53 g/mol. Its IUPAC name is 2-aminosulfanyl-3-methylpentadecan-2-ol.

Molecular Properties

Compound Name2-aminosulfanyl-3-methylpentadecan-2-ol
PubChem CID175094628
Molecular FormulaC16H35NOS
Molecular Weight289.53 g/mol
Exact Mass289.24
IUPAC Name2-aminosulfanyl-3-methylpentadecan-2-ol
SMILESCCCCCCCCCCCCC(C)C(C)(O)SN
InChIInChI=1S/C16H35NOS/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3,18)19-17/h15,18H,4-14,17H2,1-3H3
InChIKeyKLTHOZGHKKRKBK-UHFFFAOYSA-N
XLogP5.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.53
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-methylheptadecan-2-ol
CID 88695872
2,3-dimethylhexadecan-2-amine
CID 87479269
3-methylheptadecane-2,2-diamine
CID 141040528
3-methyl-2-phosphanylpentadecan-2-ol;hydrochloride
CID 173417592
2,2,3-trimethylundecane
CID 21285055
4-methyldodecane-3,3-diol
CID 152575890
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
3-ethyl-4-methyldodecan-3-ol
CID 173066950
5,6-dimethyl-5-propyltridecane-4,4-diol
CID 175779679
2,3-dimethylnonadecan-2-ylsilane
CID 175060938
2,3,3,4-tetramethylnonadecane
CID 174953704
2-chloro-2,3-dimethyltridecane
CID 87222996

Frequently Asked Questions

What is the IUPAC name of 2-aminosulfanyl-3-methylpentadecan-2-ol?
The IUPAC name of 2-aminosulfanyl-3-methylpentadecan-2-ol (CID 175094628) is 2-aminosulfanyl-3-methylpentadecan-2-ol.
What is the SMILES notation for 2-aminosulfanyl-3-methylpentadecan-2-ol?
The canonical SMILES for 2-aminosulfanyl-3-methylpentadecan-2-ol is CCCCCCCCCCCCC(C)C(C)(O)SN.
What is the InChIKey of 2-aminosulfanyl-3-methylpentadecan-2-ol?
The InChIKey is KLTHOZGHKKRKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NOS/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)16(3,18)19-17/h15,18H,4-14,17H2,1-3H3.
What are the key properties of 2-aminosulfanyl-3-methylpentadecan-2-ol?
2-aminosulfanyl-3-methylpentadecan-2-ol has a molecular weight of 289.53 g/mol, XLogP of 5.25, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminosulfanyl-3-methylpentadecan-2-ol is sourced from PubChem (CID 175094628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).