N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide

C11H20N2OS — CID 81451265

IUPACN-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NC(CN)C2CC2)CCCS1
InChIInChI=1S/C11H20N2OS/c1-11(5-2-6-15-11)10(14)13-9(7-12)8-3-4-8/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeySFIMSRZEFDOHJX-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.13
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide (PubChem CID 81451265) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide
PubChem CID81451265
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide
SMILESCC1(C(=O)NC(CN)C2CC2)CCCS1
InChIInChI=1S/C11H20N2OS/c1-11(5-2-6-15-11)10(14)13-9(7-12)8-3-4-8/h8-9H,2-7,12H2,1H3,(H,13,14)
InChIKeySFIMSRZEFDOHJX-UHFFFAOYSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-N,2-dimethylthiolane-2-carboxamide
CID 116651932
N-(1-bromopropan-2-yl)-2-methylthiolane-2-carboxamide
CID 114310686
N-(1-chloropropan-2-yl)-2-methylthiolane-2-carboxamide
CID 114299643
N-(2-aminoethyl)-2-methylthiolane-2-carboxamide
CID 81450452
N-(2-amino-1-cyclopropylethyl)-1-(2-methylpropyl)cyclobutane-1-carboxamide;hydrochloride
CID 119613969
N-cyclopropyl-2-methylthiolane-2-carboxamide
CID 80949024
(2S)-4-methyl-2-[(2-methylthiolane-2-carbonyl)amino]pentanoic acid
CID 81451888
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-methylthiolane-2-carboxamide
CID 81452948
(2S)-5-amino-2-[(2-methylthiolane-2-carbonyl)amino]-5-oxopentanoic acid
CID 81452476
N-(1-amino-1-sulfanylidenepentan-2-yl)-2-methylthiolane-2-carboxamide
CID 81452680
N-methoxy-2-methylthiolane-2-carboxamide
CID 80980317
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methylthiolane-2-carboxamide
CID 115310400

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide (CID 81451265) is N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide is CC1(C(=O)NC(CN)C2CC2)CCCS1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide?
The InChIKey is SFIMSRZEFDOHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-11(5-2-6-15-11)10(14)13-9(7-12)8-3-4-8/h8-9H,2-7,12H2,1H3,(H,13,14).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide has a molecular weight of 228.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-methylthiolane-2-carboxamide is sourced from PubChem (CID 81451265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).