(2R)-2-(dimethylamino)butane-2-thiol

C6H15NS — CID 160975847

IUPAC(2R)-2-(dimethylamino)butane-2-thiol
SMILESCC[C@@](C)(S)N(C)C
InChIInChI=1S/C6H15NS/c1-5-6(2,8)7(3)4/h8H,5H2,1-4H3/t6-/m1/s1
InChIKeySYVVCBZEDYEGFO-ZCFIWIBFSA-N
MW133.26 g/mol
LogP1.60
Rot. Bonds2

About (2R)-2-(dimethylamino)butane-2-thiol

(2R)-2-(dimethylamino)butane-2-thiol (PubChem CID 160975847) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)butane-2-thiol.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)butane-2-thiol
PubChem CID160975847
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name(2R)-2-(dimethylamino)butane-2-thiol
SMILESCC[C@@](C)(S)N(C)C
InChIInChI=1S/C6H15NS/c1-5-6(2,8)7(3)4/h8H,5H2,1-4H3/t6-/m1/s1
InChIKeySYVVCBZEDYEGFO-ZCFIWIBFSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-N',2-N'-dimethylbutane-2,2-diamine;hydrobromide
CID 173333878
2,2-dimethylpentane-3,3-dithiol
CID 129013904
(2S)-2-(dimethylamino)-2-methylbutan-1-ol
CID 130124788
4-ethyl-N,N,2,4-tetramethylhexan-2-amine
CID 134476921
N-cyclopropyl-N-[(2S)-2-sulfanylbutan-2-yl]acetamide
CID 139314367
N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine
CID 126621627
N,N,2-trimethyl-1-(oxiran-2-yl)butan-2-amine
CID 130392651
N-iodo-N,2-dimethylbutan-2-amine
CID 154548440
2-methylsulfanylbutane-2-thiol
CID 89333098
carbanide;ethane;ethanol;N,N,2-trimethylpropan-2-amine
CID 160615904
9-ethyl-2-methylundecane-2,9-dithiol
CID 118550349
4-chloro-2-[(4-chloro-2-sulfanylbutan-2-yl)-methylamino]butane-2-thiol;hydrochloride
CID 23621544

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)butane-2-thiol?
The IUPAC name of (2R)-2-(dimethylamino)butane-2-thiol (CID 160975847) is (2R)-2-(dimethylamino)butane-2-thiol.
What is the SMILES notation for (2R)-2-(dimethylamino)butane-2-thiol?
The canonical SMILES for (2R)-2-(dimethylamino)butane-2-thiol is CC[C@@](C)(S)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)butane-2-thiol?
The InChIKey is SYVVCBZEDYEGFO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H15NS/c1-5-6(2,8)7(3)4/h8H,5H2,1-4H3/t6-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)butane-2-thiol?
(2R)-2-(dimethylamino)butane-2-thiol has a molecular weight of 133.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)butane-2-thiol is sourced from PubChem (CID 160975847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).