(2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine

C10H21NS — CID 130197422

IUPAC(2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine
SMILESC=C[C@H](CN(C)C)SC(C)(C)C
InChIInChI=1S/C10H21NS/c1-7-9(8-11(5)6)12-10(2,3)4/h7,9H,1,8H2,2-6H3/t9-/m1/s1
InChIKeyLBEWKUBBXBSWTH-SECBINFHSA-N
MW187.35 g/mol
LogP2.63
Rot. Bonds4

About (2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine

(2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine (PubChem CID 130197422) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name(2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine
PubChem CID130197422
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine
SMILESC=C[C@H](CN(C)C)SC(C)(C)C
InChIInChI=1S/C10H21NS/c1-7-9(8-11(5)6)12-10(2,3)4/h7,9H,1,8H2,2-6H3/t9-/m1/s1
InChIKeyLBEWKUBBXBSWTH-SECBINFHSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of (2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine (CID 130197422) is (2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for (2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for (2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine is C=C[C@H](CN(C)C)SC(C)(C)C.
What is the InChIKey of (2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine?
The InChIKey is LBEWKUBBXBSWTH-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NS/c1-7-9(8-11(5)6)12-10(2,3)4/h7,9H,1,8H2,2-6H3/t9-/m1/s1.
What are the key properties of (2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine?
(2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butylsulfanyl-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 130197422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).