1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide

C10H18N2OS — CID 115452254

IUPAC1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
SMILESCN(C(=O)C1(CN)CC1)C1CCSC1
InChIInChI=1S/C10H18N2OS/c1-12(8-2-5-14-6-8)9(13)10(7-11)3-4-10/h8H,2-7,11H2,1H3
InChIKeyJXQHFWPGZBLEGR-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.69
Rot. Bonds3

About 1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide (PubChem CID 115452254) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
PubChem CID115452254
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
SMILESCN(C(=O)C1(CN)CC1)C1CCSC1
InChIInChI=1S/C10H18N2OS/c1-12(8-2-5-14-6-8)9(13)10(7-11)3-4-10/h8H,2-7,11H2,1H3
InChIKeyJXQHFWPGZBLEGR-UHFFFAOYSA-N
XLogP0.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-methyl-N-(thiolan-3-yl)oxane-4-carboxamide;hydrochloride
CID 120942952
1-amino-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 65466990
1-(aminomethyl)-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 115182657
1-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096737
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 80596761
N-methyl-N-(thiolan-3-yl)propanamide
CID 64591456
2-(aminomethyl)-N-methyl-N-(thiolan-3-yl)pentanamide
CID 65225799
2-hydroxy-N,2-dimethyl-N-(thiolan-3-yl)propanamide
CID 103429486
(2R)-2-amino-N-methyl-N-[(3S)-thiolan-3-yl]propanamide
CID 93279074
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N-methylcyclobutane-1-carboxamide
CID 80588442
4-amino-N,3-dimethyl-N-(thiolan-3-yl)butanamide
CID 81070662
N-methyl-3-oxo-N-(thiolan-3-yl)butanamide
CID 43296752

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide (CID 115452254) is 1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide is CN(C(=O)C1(CN)CC1)C1CCSC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide?
The InChIKey is JXQHFWPGZBLEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-12(8-2-5-14-6-8)9(13)10(7-11)3-4-10/h8H,2-7,11H2,1H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide has a molecular weight of 214.33 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115452254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).