(Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine

C9H16BrNS — CID 169263015

IUPAC(Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine
SMILESC/C=C(\SC(Br)=C(C)C)C(C)N
InChIInChI=1S/C9H16BrNS/c1-5-8(7(4)11)12-9(10)6(2)3/h5,7H,11H2,1-4H3/b8-5-
InChIKeyREJHQATUCBRIGX-YVMONPNESA-N
MW250.21 g/mol
LogP3.62
Rot. Bonds3

About (Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine

(Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine (PubChem CID 169263015) has the molecular formula C9H16BrNS and a molecular weight of 250.21 g/mol. Its IUPAC name is (Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine
PubChem CID169263015
Molecular FormulaC9H16BrNS
Molecular Weight250.21 g/mol
Exact Mass249.02
IUPAC Name(Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine
SMILESC/C=C(\SC(Br)=C(C)C)C(C)N
InChIInChI=1S/C9H16BrNS/c1-5-8(7(4)11)12-9(10)6(2)3/h5,7H,11H2,1-4H3/b8-5-
InChIKeyREJHQATUCBRIGX-YVMONPNESA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-[(Z)-but-2-en-2-yl]sulfanyl-4-methylhex-3-en-2-amine
CID 132032768
(3Z,6E)-5-methylidene-3-prop-1-en-2-ylsulfanylocta-3,6-dien-2-amine
CID 155349112
(3Z)-5-methyl-3-prop-1-en-2-ylsulfanylhexa-3,5-dien-2-amine
CID 155349125
(E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine
CID 155354067
ethane;(3Z)-5-methyl-3-methylsulfanylhexa-3,5-dien-2-amine
CID 156724854
1-(6-bromo-4,5-dimethyl-4H-thiopyran-2-yl)ethanamine
CID 169263026
N-[(Z)-3-(1-bromo-2-methylbut-1-enyl)sulfanylpent-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 178137893
4-Methyl-1-(2-methylpropylsulfanyl)pent-3-en-2-amine
CID 79177506
1-Ethylsulfanyl-4-methylpent-3-en-2-amine
CID 79177955
1-Butan-2-ylsulfanyl-4-methylpent-3-en-2-amine
CID 79178396
4-Methyl-1-propylsulfanylpent-3-en-2-amine
CID 79178608
4-Methyl-1-propan-2-ylsulfanylpent-3-en-2-amine
CID 79179265

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine?
The IUPAC name of (Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine (CID 169263015) is (Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine.
What is the SMILES notation for (Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine?
The canonical SMILES for (Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine is C/C=C(\SC(Br)=C(C)C)C(C)N.
What is the InChIKey of (Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine?
The InChIKey is REJHQATUCBRIGX-YVMONPNESA-N. The full InChI is InChI=1S/C9H16BrNS/c1-5-8(7(4)11)12-9(10)6(2)3/h5,7H,11H2,1-4H3/b8-5-.
What are the key properties of (Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine?
(Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine has a molecular weight of 250.21 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-bromo-2-methylprop-1-enyl)sulfanylpent-3-en-2-amine is sourced from PubChem (CID 169263015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).