N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide

C14H26BrNOS2 — CID 178137893

IUPACN-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC/C=C(\SC(Br)=C(C)CC)C(C)NS(=O)C(C)(C)C
InChIInChI=1S/C14H26BrNOS2/c1-8-10(3)13(15)18-12(9-2)11(4)16-19(17)14(5,6)7/h9,11,16H,8H2,1-7H3/b12-9-,13-10?
InChIKeyCQYSEQCQZQYSMV-QPJMWLODSA-N
MW368.41 g/mol
LogP5.10
Rot. Bonds6

About N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide

N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 178137893) has the molecular formula C14H26BrNOS2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID178137893
Molecular FormulaC14H26BrNOS2
Molecular Weight368.41 g/mol
Exact Mass367.06
IUPAC NameN-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide
SMILESC/C=C(\SC(Br)=C(C)CC)C(C)NS(=O)C(C)(C)C
InChIInChI=1S/C14H26BrNOS2/c1-8-10(3)13(15)18-12(9-2)11(4)16-19(17)14(5,6)7/h9,11,16H,8H2,1-7H3/b12-9-,13-10?
InChIKeyCQYSEQCQZQYSMV-QPJMWLODSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-dihydrothiophen-3-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 90853738
(Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine
CID 169263015

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide (CID 178137893) is N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide is C/C=C(\SC(Br)=C(C)CC)C(C)NS(=O)C(C)(C)C.
What is the InChIKey of N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is CQYSEQCQZQYSMV-QPJMWLODSA-N. The full InChI is InChI=1S/C14H26BrNOS2/c1-8-10(3)13(15)18-12(9-2)11(4)16-19(17)14(5,6)7/h9,11,16H,8H2,1-7H3/b12-9-,13-10?.
What are the key properties of N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide?
N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 368.41 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 178137893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).