(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine

C10H23NS — CID 134995244

IUPAC(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine
SMILESCCCCNC[C@@H](CC)CSC
InChIInChI=1S/C10H23NS/c1-4-6-7-11-8-10(5-2)9-12-3/h10-11H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyXZSCYUOMAPUFJN-SNVBAGLBSA-N
MW189.37 g/mol
LogP2.77
Rot. Bonds8

About (2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine

(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine (PubChem CID 134995244) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is (2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine.

Molecular Properties

Compound Name(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine
PubChem CID134995244
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Name(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine
SMILESCCCCNC[C@@H](CC)CSC
InChIInChI=1S/C10H23NS/c1-4-6-7-11-8-10(5-2)9-12-3/h10-11H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyXZSCYUOMAPUFJN-SNVBAGLBSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Propan-2-yl)thiomorpholine
CID 56807259
3-(Tert-butylsulfanyl)pyrrolidine
CID 67293940
3-[(Methylsulfanyl)methyl]pyrrolidine hydrochloride
CID 53621886
1-ethylsulfanyl-3-methyl-N-propan-2-ylbutan-2-amine
CID 21576654
3-[(Methylsulfanyl)methyl]pyrrolidine
CID 23184259
N-methyl-1-(tetrahydrothiophen-3-yl)methanamine
CID 64164649
2-methyl-3-methylsulfanyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 64553357
N-(2-fluoroethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 80693882
N-(3-fluoropropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 81106701
2-ethyl-N-(2-fluoroethyl)-2-methylsulfanylbutan-1-amine
CID 105818152
2-ethyl-N-(3-fluoropropyl)-2-methylsulfanylbutan-1-amine
CID 105818181
3-fluoro-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107166623

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine?
The IUPAC name of (2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine (CID 134995244) is (2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine.
What is the SMILES notation for (2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine?
The canonical SMILES for (2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine is CCCCNC[C@@H](CC)CSC.
What is the InChIKey of (2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine?
The InChIKey is XZSCYUOMAPUFJN-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23NS/c1-4-6-7-11-8-10(5-2)9-12-3/h10-11H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine?
(2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine has a molecular weight of 189.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-(methylsulfanylmethyl)butan-1-amine is sourced from PubChem (CID 134995244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).