(2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine

C11H25NS — CID 58815164

IUPAC(2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)CSC(C)(C)C
InChIInChI=1S/C11H25NS/c1-9(2)7-11(6,12)8-13-10(3,4)5/h9H,7-8,12H2,1-6H3/t11-/m0/s1
InChIKeyZZVVMSYSMCONJC-NSHDSACASA-N
MW203.39 g/mol
LogP3.28
Rot. Bonds4

About (2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine

(2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine (PubChem CID 58815164) has the molecular formula C11H25NS and a molecular weight of 203.39 g/mol. Its IUPAC name is (2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine
PubChem CID58815164
Molecular FormulaC11H25NS
Molecular Weight203.39 g/mol
Exact Mass203.17
IUPAC Name(2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine
SMILESCC(C)C[C@](C)(N)CSC(C)(C)C
InChIInChI=1S/C11H25NS/c1-9(2)7-11(6,12)8-13-10(3,4)5/h9H,7-8,12H2,1-6H3/t11-/m0/s1
InChIKeyZZVVMSYSMCONJC-NSHDSACASA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine;methane;(4S)-4-methyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 159220512
[(2S)-2-amino-4-methylpentan-2-yl]phosphonic acid
CID 7167688
bis(2,6-dimethyl-4,4-bis(2-methylpropyl)heptane);methane
CID 159457084
1,2-Bis(tert-butylthio)ethane Borane
CID 23106025
(2-amino-4-methylpentan-2-yl)phosphonic acid;hydrate
CID 53393196
2,2,3,4,4,6-hexamethylheptane
CID 57491289
(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
3-ethyl-2,3,5-trimethylhexane
CID 53428900
(2S,3R)-2,3-dimethyl-2,3-bis(2-methylpropyl)butanedinitrile
CID 119025800
4-tert-butyl-2,4,6-trimethylheptane
CID 57493093
CID 174450797
CID 174450797
methanamine;molecular hydrogen;2,2,4-trimethylpentanal
CID 177024221

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine (CID 58815164) is (2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine is CC(C)C[C@](C)(N)CSC(C)(C)C.
What is the InChIKey of (2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine?
The InChIKey is ZZVVMSYSMCONJC-NSHDSACASA-N. The full InChI is InChI=1S/C11H25NS/c1-9(2)7-11(6,12)8-13-10(3,4)5/h9H,7-8,12H2,1-6H3/t11-/m0/s1.
What are the key properties of (2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine?
(2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine has a molecular weight of 203.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butylsulfanyl-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 58815164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).