4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine

C12H19BrN2S2 — CID 54984936

IUPAC4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine
SMILESCN(Cc1cc(Br)cs1)C1(CN)CCSCC1
InChIInChI=1S/C12H19BrN2S2/c1-15(7-11-6-10(13)8-17-11)12(9-14)2-4-16-5-3-12/h6,8H,2-5,7,9,14H2,1H3
InChIKeyXDPDFOBPMUATPN-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.17
Rot. Bonds4

About 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine

4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine (PubChem CID 54984936) has the molecular formula C12H19BrN2S2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine
PubChem CID54984936
Molecular FormulaC12H19BrN2S2
Molecular Weight335.34 g/mol
Exact Mass334.02
IUPAC Name4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine
SMILESCN(Cc1cc(Br)cs1)C1(CN)CCSCC1
InChIInChI=1S/C12H19BrN2S2/c1-15(7-11-6-10(13)8-17-11)12(9-14)2-4-16-5-3-12/h6,8H,2-5,7,9,14H2,1H3
InChIKeyXDPDFOBPMUATPN-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,1-dioxothian-4-amine
CID 54984935
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,3,3-trimethylcyclopentan-1-amine
CID 80705336
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,2-dimethylcyclopentan-1-amine
CID 65045314
[1-[(4-bromothiophen-2-yl)methyl]cyclopropyl]methanamine
CID 66025971
2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924812
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
CID 79521426
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63473105
1-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethylcyclohexane-1-carboxamide
CID 115441733
2-(1-aminocyclobutyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylacetamide;hydrochloride
CID 75424655
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385960
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine
CID 81059213
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1-(2-methylcyclopropyl)methanamine
CID 63864847

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine (CID 54984936) is 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine is CN(Cc1cc(Br)cs1)C1(CN)CCSCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine?
The InChIKey is XDPDFOBPMUATPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2S2/c1-15(7-11-6-10(13)8-17-11)12(9-14)2-4-16-5-3-12/h6,8H,2-5,7,9,14H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine?
4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine has a molecular weight of 335.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methylthian-4-amine is sourced from PubChem (CID 54984936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).