N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide

C12H22N2OS — CID 82908541

IUPACN-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide
SMILESCC(C)CN(C(=O)C1CSCCN1)C1CC1
InChIInChI=1S/C12H22N2OS/c1-9(2)7-14(10-3-4-10)12(15)11-8-16-6-5-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyQDSFVUIJBJBZJD-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.34
Rot. Bonds4

About N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide

N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide (PubChem CID 82908541) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide
PubChem CID82908541
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide
SMILESCC(C)CN(C(=O)C1CSCCN1)C1CC1
InChIInChI=1S/C12H22N2OS/c1-9(2)7-14(10-3-4-10)12(15)11-8-16-6-5-13-11/h9-11,13H,3-8H2,1-2H3
InChIKeyQDSFVUIJBJBZJD-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2-methylpropyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383075
S-[2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]ethyl] 2-methylpropanethioate
CID 516555
S-[(2R)-2-acetamido-3-(2-acetylsulfanylethylamino)-3-oxo-propyl] 2-methylpropanethioate
CID 516559
S-[2-[[(2R)-2-acetamido-3-acetylsulfanyl-propanoyl]amino]ethyl] 2-methylpropanethioate
CID 516561
3-methyl-4-(3-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383078
3-methyl-5-oxo-N-propan-2-yl-4-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 53383071
N-(3-methylbutan-2-yl)-2-thiomorpholin-4-ylacetamide
CID 53516133
N-pentan-3-yl-2-thiomorpholin-4-ylacetamide
CID 53523746
(3S,6S)-3-(2-methylsulfanylethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 163112287
2-Amino-3-(methylsulfanyl)-1-(piperazin-1-yl)propan-1-one
CID 82506609
3-methyl-4-(2-methylbutyl)-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383073
4-cyclopropyl-3-methyl-5-oxo-N-propan-2-ylthiomorpholine-3-carboxamide
CID 53383079

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide (CID 82908541) is N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide is CC(C)CN(C(=O)C1CSCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide?
The InChIKey is QDSFVUIJBJBZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)7-14(10-3-4-10)12(15)11-8-16-6-5-13-11/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide?
N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82908541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).