2-(dimethylamino)pentane-1-thiol

C7H17NS — CID 116908743

IUPAC2-(dimethylamino)pentane-1-thiol
SMILESCCCC(CS)N(C)C
InChIInChI=1S/C7H17NS/c1-4-5-7(6-9)8(2)3/h7,9H,4-6H2,1-3H3
InChIKeyOQPORNPIJPESKF-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.65
Rot. Bonds4

About 2-(dimethylamino)pentane-1-thiol

2-(dimethylamino)pentane-1-thiol (PubChem CID 116908743) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is 2-(dimethylamino)pentane-1-thiol.

Molecular Properties

Compound Name2-(dimethylamino)pentane-1-thiol
PubChem CID116908743
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name2-(dimethylamino)pentane-1-thiol
SMILESCCCC(CS)N(C)C
InChIInChI=1S/C7H17NS/c1-4-5-7(6-9)8(2)3/h7,9H,4-6H2,1-3H3
InChIKeyOQPORNPIJPESKF-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylheptan-4-amine;hydrochloride
CID 138400485
3-(dimethylamino)hexanoic acid
CID 64527574
ethanethiol;ethene;formaldehyde;N-hexan-3-yl-N-methylacetamide
CID 143678118
2-(dimethylamino)-3-hydroxysulfanylpropane-1-thiol
CID 71371398
2-N-hexan-3-yl-2-N-methylbutane-1,2-diamine
CID 155282396
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
1-chloro-N,N-dimethylpentan-3-amine
CID 116907512
methyl 4-(dimethylamino)heptanoate
CID 116910261
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)pentane-1-thiol?
The IUPAC name of 2-(dimethylamino)pentane-1-thiol (CID 116908743) is 2-(dimethylamino)pentane-1-thiol.
What is the SMILES notation for 2-(dimethylamino)pentane-1-thiol?
The canonical SMILES for 2-(dimethylamino)pentane-1-thiol is CCCC(CS)N(C)C.
What is the InChIKey of 2-(dimethylamino)pentane-1-thiol?
The InChIKey is OQPORNPIJPESKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-4-5-7(6-9)8(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-(dimethylamino)pentane-1-thiol?
2-(dimethylamino)pentane-1-thiol has a molecular weight of 147.29 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)pentane-1-thiol is sourced from PubChem (CID 116908743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).