N-(2-bromoprop-2-enyl)-N-methylthian-3-amine

C9H16BrNS — CID 130684412

IUPACN-(2-bromoprop-2-enyl)-N-methylthian-3-amine
SMILESC=C(Br)CN(C)C1CCCSC1
InChIInChI=1S/C9H16BrNS/c1-8(10)6-11(2)9-4-3-5-12-7-9/h9H,1,3-7H2,2H3
InChIKeyRHSIYPOFZIJKNI-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.72
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-N-methylthian-3-amine

N-(2-bromoprop-2-enyl)-N-methylthian-3-amine (PubChem CID 130684412) has the molecular formula C9H16BrNS and a molecular weight of 250.20 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N-methylthian-3-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N-methylthian-3-amine
PubChem CID130684412
Molecular FormulaC9H16BrNS
Molecular Weight250.20 g/mol
Exact Mass249.02
IUPAC NameN-(2-bromoprop-2-enyl)-N-methylthian-3-amine
SMILESC=C(Br)CN(C)C1CCCSC1
InChIInChI=1S/C9H16BrNS/c1-8(10)6-11(2)9-4-3-5-12-7-9/h9H,1,3-7H2,2H3
InChIKeyRHSIYPOFZIJKNI-UHFFFAOYSA-N
XLogP2.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N-methylthian-3-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-N-methylthian-3-amine (CID 130684412) is N-(2-bromoprop-2-enyl)-N-methylthian-3-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N-methylthian-3-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N-methylthian-3-amine is C=C(Br)CN(C)C1CCCSC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N-methylthian-3-amine?
The InChIKey is RHSIYPOFZIJKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNS/c1-8(10)6-11(2)9-4-3-5-12-7-9/h9H,1,3-7H2,2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N-methylthian-3-amine?
N-(2-bromoprop-2-enyl)-N-methylthian-3-amine has a molecular weight of 250.20 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N-methylthian-3-amine is sourced from PubChem (CID 130684412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).