N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide

C13H26N2OS — CID 82906208

IUPACN,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CSCCN1
InChIInChI=1S/C13H26N2OS/c1-10(2)7-15(8-11(3)4)13(16)12-9-17-6-5-14-12/h10-12,14H,5-9H2,1-4H3
InChIKeyOBPCGLFTFHIWSC-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.83
Rot. Bonds5

About N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide

N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide (PubChem CID 82906208) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
PubChem CID82906208
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1CSCCN1
InChIInChI=1S/C13H26N2OS/c1-10(2)7-15(8-11(3)4)13(16)12-9-17-6-5-14-12/h10-12,14H,5-9H2,1-4H3
InChIKeyOBPCGLFTFHIWSC-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(3-methylbutyl)thiomorpholine-3-carboxamide
CID 82909487
N-cyclopropyl-N-(2-methylpropyl)thiomorpholine-3-carboxamide
CID 82908541
N,N-bis[3-(dimethylamino)propyl]thiomorpholine-3-carboxamide
CID 82897683
methyl 2-[2-ethylbutyl(thiomorpholine-3-carbonyl)amino]acetate
CID 82909407
N-methyl-N-(2-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82917729
N-[2-(dimethylamino)-2-oxoethyl]-N-propylthiomorpholine-3-carboxamide
CID 82908136
(2R)-N-ethyl-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 93267754
2-[prop-2-enyl(thiomorpholine-3-carbonyl)amino]acetic acid
CID 82916144
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60962738
(3R)-thiomorpholine-3-carboxamide
CID 41097978
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiomorpholine-3-carboxamide
CID 82908467
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide (CID 82906208) is N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide is CC(C)CN(CC(C)C)C(=O)C1CSCCN1.
What is the InChIKey of N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide?
The InChIKey is OBPCGLFTFHIWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-10(2)7-15(8-11(3)4)13(16)12-9-17-6-5-14-12/h10-12,14H,5-9H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide?
N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82906208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).