(Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine

C10H17NS — CID 138705409

IUPAC(Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine
SMILESCC#CCS/C(=C\NC)C(C)C
InChIInChI=1S/C10H17NS/c1-5-6-7-12-10(8-11-4)9(2)3/h8-9,11H,7H2,1-4H3/b10-8-
InChIKeyICKZKTVJYUMVFZ-NTMALXAHSA-N
MW183.32 g/mol
LogP2.46
Rot. Bonds4

About (Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine

(Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine (PubChem CID 138705409) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is (Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine
PubChem CID138705409
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name(Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine
SMILESCC#CCS/C(=C\NC)C(C)C
InChIInChI=1S/C10H17NS/c1-5-6-7-12-10(8-11-4)9(2)3/h8-9,11H,7H2,1-4H3/b10-8-
InChIKeyICKZKTVJYUMVFZ-NTMALXAHSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine?
The IUPAC name of (Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine (CID 138705409) is (Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine.
What is the SMILES notation for (Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine?
The canonical SMILES for (Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine is CC#CCS/C(=C\NC)C(C)C.
What is the InChIKey of (Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine?
The InChIKey is ICKZKTVJYUMVFZ-NTMALXAHSA-N. The full InChI is InChI=1S/C10H17NS/c1-5-6-7-12-10(8-11-4)9(2)3/h8-9,11H,7H2,1-4H3/b10-8-.
What are the key properties of (Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine?
(Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine has a molecular weight of 183.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-but-2-ynylsulfanyl-N,3-dimethylbut-1-en-1-amine is sourced from PubChem (CID 138705409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).