1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide

C14H18N2OS — CID 115189752

IUPAC1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(N)CC1)c1ccc2c(c1)CCCS2
InChIInChI=1S/C14H18N2OS/c1-16(13(17)14(15)6-7-14)11-4-5-12-10(9-11)3-2-8-18-12/h4-5,9H,2-3,6-8,15H2,1H3
InChIKeyLPSQEUFJHSTHDK-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.18
Rot. Bonds2

About 1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide

1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide (PubChem CID 115189752) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide
PubChem CID115189752
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(N)CC1)c1ccc2c(c1)CCCS2
InChIInChI=1S/C14H18N2OS/c1-16(13(17)14(15)6-7-14)11-4-5-12-10(9-11)3-2-8-18-12/h4-5,9H,2-3,6-8,15H2,1H3
InChIKeyLPSQEUFJHSTHDK-UHFFFAOYSA-N
XLogP2.18
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylacetamide
CID 115161946
1-N-(3,4-dihydro-2H-thiochromen-6-yl)-1-N-methylcyclopentane-1,2-diamine
CID 115117308
[3,4-dihydro-2H-thiochromen-6-yl(methyl)amino]methanethiol
CID 115227824
3-[3,4-dihydro-2H-thiochromen-6-yl(methyl)amino]-2-methylpropanoic acid
CID 115219368
1-amino-N-methyl-N-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119706037
N'-(3,4-dihydro-2H-thiochromen-6-yl)-N,N'-dimethylmethanediamine
CID 115226735
2-[3,4-dihydro-2H-thiochromen-6-yl(methyl)amino]ethanethiol
CID 115223862
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505
3-N-(3,4-dihydro-2H-thiochromen-6-yl)-3-N-methylpropane-1,2,3-triamine
CID 115119597
1-amino-N-(4-fluorophenyl)-N-methylcyclobutane-1-carboxamide
CID 81169719
2-amino-2-(3,4-dihydro-2H-thiochromen-6-yl)-N',N'-dimethylacetohydrazide
CID 116849848
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclohexane-1-carboxamide
CID 119337228

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide (CID 115189752) is 1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide is CN(C(=O)C1(N)CC1)c1ccc2c(c1)CCCS2.
What is the InChIKey of 1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is LPSQEUFJHSTHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-16(13(17)14(15)6-7-14)11-4-5-12-10(9-11)3-2-8-18-12/h4-5,9H,2-3,6-8,15H2,1H3.
What are the key properties of 1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide?
1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3,4-dihydro-2H-thiochromen-6-yl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 115189752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).