N-butyl-2-methylthiomorpholine-4-carboxamide

C10H20N2OS — CID 115612052

IUPACN-butyl-2-methylthiomorpholine-4-carboxamide
SMILESCCCCNC(=O)N1CCSC(C)C1
InChIInChI=1S/C10H20N2OS/c1-3-4-5-11-10(13)12-6-7-14-9(2)8-12/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyVCQQHWIQQXOBHP-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.93
Rot. Bonds3

About N-butyl-2-methylthiomorpholine-4-carboxamide

N-butyl-2-methylthiomorpholine-4-carboxamide (PubChem CID 115612052) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-butyl-2-methylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methylthiomorpholine-4-carboxamide
PubChem CID115612052
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-butyl-2-methylthiomorpholine-4-carboxamide
SMILESCCCCNC(=O)N1CCSC(C)C1
InChIInChI=1S/C10H20N2OS/c1-3-4-5-11-10(13)12-6-7-14-9(2)8-12/h9H,3-8H2,1-2H3,(H,11,13)
InChIKeyVCQQHWIQQXOBHP-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butylaziridine-1-carboxamide
CID 55206947
N-butyl-2-methylaziridine-1-carboxamide
CID 91621648
3-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]propanoic acid
CID 122018365
2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide
CID 71933418
3-methoxy-4-[(2-methylthiomorpholine-4-carbonyl)amino]butanoic acid
CID 103160015
(2S)-1-N,4-N-dihexyl-2-methylpiperazine-1,4-dicarboxamide
CID 27255411
N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 114507061
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-(3-methoxypropyl)-2-methylthiomorpholine-4-carbothioamide
CID 115611482
(3R)-N-butyl-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
CID 40631537
N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylthiomorpholine-4-carboxamide?
The IUPAC name of N-butyl-2-methylthiomorpholine-4-carboxamide (CID 115612052) is N-butyl-2-methylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-butyl-2-methylthiomorpholine-4-carboxamide?
The canonical SMILES for N-butyl-2-methylthiomorpholine-4-carboxamide is CCCCNC(=O)N1CCSC(C)C1.
What is the InChIKey of N-butyl-2-methylthiomorpholine-4-carboxamide?
The InChIKey is VCQQHWIQQXOBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-4-5-11-10(13)12-6-7-14-9(2)8-12/h9H,3-8H2,1-2H3,(H,11,13).
What are the key properties of N-butyl-2-methylthiomorpholine-4-carboxamide?
N-butyl-2-methylthiomorpholine-4-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylthiomorpholine-4-carboxamide is sourced from PubChem (CID 115612052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).