N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide

C15H22N2OS — CID 82905917

IUPACN-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CSCCN1
InChIInChI=1S/C15H22N2OS/c1-15(2,3)11-6-4-5-7-12(11)17-14(18)13-10-19-9-8-16-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyBMBZTDQMOHSZDA-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.63
Rot. Bonds2

About N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide

N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide (PubChem CID 82905917) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
PubChem CID82905917
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(2-tert-butylphenyl)thiomorpholine-3-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C1CSCCN1
InChIInChI=1S/C15H22N2OS/c1-15(2,3)11-6-4-5-7-12(11)17-14(18)13-10-19-9-8-16-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyBMBZTDQMOHSZDA-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-tert-butylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119399894
N-(2-tert-butylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119399897
N-(2-propan-2-yloxyphenyl)thiomorpholine-3-carboxamide
CID 82906619
N-(2-ethylsulfanylphenyl)thiomorpholine-3-carboxamide
CID 82909130
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
N-(4-phenylphenyl)thiomorpholine-3-carboxamide
CID 82896691
N-(2-chloro-4-methylphenyl)thiomorpholine-3-carboxamide
CID 82906287
N-(3-methyl-4-pyridinyl)thiomorpholine-3-carboxamide
CID 82918036
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-(3-methylphenyl)thiomorpholine-3-carboxamide
CID 82906077
N-[2-(pyrazol-1-ylmethyl)phenyl]thiomorpholine-3-carboxamide
CID 82906578
4-bromo-3-(thiomorpholine-3-carbonylamino)benzoic acid
CID 107813472

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide (CID 82905917) is N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide is CC(C)(C)c1ccccc1NC(=O)C1CSCCN1.
What is the InChIKey of N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide?
The InChIKey is BMBZTDQMOHSZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-15(2,3)11-6-4-5-7-12(11)17-14(18)13-10-19-9-8-16-13/h4-7,13,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide?
N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide has a molecular weight of 278.42 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)thiomorpholine-3-carboxamide is sourced from PubChem (CID 82905917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).