4-amino-5-methylnonane-5-thiol

C10H23NS — CID 146564263

IUPAC4-amino-5-methylnonane-5-thiol
SMILESCCCCC(C)(S)C(N)CCC
InChIInChI=1S/C10H23NS/c1-4-6-8-10(3,12)9(11)7-5-2/h9,12H,4-8,11H2,1-3H3
InChIKeyMSJXYPCRCHVEFS-UHFFFAOYSA-N
MW189.37 g/mol
LogP2.99
Rot. Bonds6

About 4-amino-5-methylnonane-5-thiol

4-amino-5-methylnonane-5-thiol (PubChem CID 146564263) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is 4-amino-5-methylnonane-5-thiol.

Molecular Properties

Compound Name4-amino-5-methylnonane-5-thiol
PubChem CID146564263
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name4-amino-5-methylnonane-5-thiol
SMILESCCCCC(C)(S)C(N)CCC
InChIInChI=1S/C10H23NS/c1-4-6-8-10(3,12)9(11)7-5-2/h9,12H,4-8,11H2,1-3H3
InChIKeyMSJXYPCRCHVEFS-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3-trimethylheptane-3,4-diamine
CID 23202047
4,4-dimethylnonan-5-amine
CID 87513740
4,5-diaminodecan-5-ol
CID 155745471
4-(aminomethyl)-5-methylnonan-5-ol
CID 165443396
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2-methyl-2-sulfanylhexanal
CID 88843028
2,2-dimethyldodecan-3-amine
CID 43370499
2,2-difluoroheptan-3-amine
CID 130605107
5-butyl-5-ethylhenicosan-6-amine
CID 87754040
4,4-dimethylicosan-5-amine;hydrobromide
CID 173152006

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methylnonane-5-thiol?
The IUPAC name of 4-amino-5-methylnonane-5-thiol (CID 146564263) is 4-amino-5-methylnonane-5-thiol.
What is the SMILES notation for 4-amino-5-methylnonane-5-thiol?
The canonical SMILES for 4-amino-5-methylnonane-5-thiol is CCCCC(C)(S)C(N)CCC.
What is the InChIKey of 4-amino-5-methylnonane-5-thiol?
The InChIKey is MSJXYPCRCHVEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS/c1-4-6-8-10(3,12)9(11)7-5-2/h9,12H,4-8,11H2,1-3H3.
What are the key properties of 4-amino-5-methylnonane-5-thiol?
4-amino-5-methylnonane-5-thiol has a molecular weight of 189.37 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methylnonane-5-thiol is sourced from PubChem (CID 146564263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).