1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine

C14H24ClN3S — CID 105414053

IUPAC1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
SMILESCN(CC1(N(C)C)CCC1)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C14H24ClN3S/c1-17(2)14(5-4-6-14)10-18(3)12(8-16)13-7-11(15)9-19-13/h7,9,12H,4-6,8,10,16H2,1-3H3
InChIKeyUGJOFWDUTMHYGQ-UHFFFAOYSA-N
MW301.89 g/mol
LogP2.82
Rot. Bonds6

About 1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine

1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine (PubChem CID 105414053) has the molecular formula C14H24ClN3S and a molecular weight of 301.89 g/mol. Its IUPAC name is 1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
PubChem CID105414053
Molecular FormulaC14H24ClN3S
Molecular Weight301.89 g/mol
Exact Mass301.14
IUPAC Name1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine
SMILESCN(CC1(N(C)C)CCC1)C(CN)c1cc(Cl)cs1
InChIInChI=1S/C14H24ClN3S/c1-17(2)14(5-4-6-14)10-18(3)12(8-16)13-7-11(15)9-19-13/h7,9,12H,4-6,8,10,16H2,1-3H3
InChIKeyUGJOFWDUTMHYGQ-UHFFFAOYSA-N
XLogP2.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.89
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine?
The IUPAC name of 1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine (CID 105414053) is 1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for 1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine?
The canonical SMILES for 1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine is CN(CC1(N(C)C)CCC1)C(CN)c1cc(Cl)cs1.
What is the InChIKey of 1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine?
The InChIKey is UGJOFWDUTMHYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3S/c1-17(2)14(5-4-6-14)10-18(3)12(8-16)13-7-11(15)9-19-13/h7,9,12H,4-6,8,10,16H2,1-3H3.
What are the key properties of 1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine?
1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine has a molecular weight of 301.89 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothiophen-2-yl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 105414053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).