N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine

C12H14ClN5S — CID 63805748

IUPACN-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCn1nnnc1Sc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C12H14ClN5S/c1-18-12(15-16-17-18)19-11-4-2-3-10(13)9(11)7-14-8-5-6-8/h2-4,8,14H,5-7H2,1H3
InChIKeyNVESJBUOYIGECQ-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.27
Rot. Bonds5

About N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine

N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine (PubChem CID 63805748) has the molecular formula C12H14ClN5S and a molecular weight of 295.80 g/mol. Its IUPAC name is N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine
PubChem CID63805748
Molecular FormulaC12H14ClN5S
Molecular Weight295.80 g/mol
Exact Mass295.07
IUPAC NameN-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine
SMILESCn1nnnc1Sc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C12H14ClN5S/c1-18-12(15-16-17-18)19-11-4-2-3-10(13)9(11)7-14-8-5-6-8/h2-4,8,14H,5-7H2,1H3
InChIKeyNVESJBUOYIGECQ-UHFFFAOYSA-N
XLogP2.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63805892
N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63805453
N-[[2-chloro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807191
2-chloro-6-(1-methyltetrazol-5-yl)sulfanylbenzaldehyde
CID 63802351
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[(2-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63809780
1-[2-chloro-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 113431904
N-[[3-chloro-4-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-2-amine
CID 81160581
N-[[3-chloro-4-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 81160685
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
2-fluoro-6-(1-methyltetrazol-5-yl)sulfanylaniline
CID 60789334

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine (CID 63805748) is N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine is Cn1nnnc1Sc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine?
The InChIKey is NVESJBUOYIGECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5S/c1-18-12(15-16-17-18)19-11-4-2-3-10(13)9(11)7-14-8-5-6-8/h2-4,8,14H,5-7H2,1H3.
What are the key properties of N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine?
N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine has a molecular weight of 295.80 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63805748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).