2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide

C10H20N2OS — CID 79951940

IUPAC2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCSC1C
InChIInChI=1S/C10H20N2OS/c1-7(2)12-10(9(11)13)5-4-6-14-8(10)3/h7-8,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyTUIGFANOCODYKC-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.12
Rot. Bonds3

About 2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide

2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide (PubChem CID 79951940) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide
PubChem CID79951940
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide
SMILESCC(C)NC1(C(N)=O)CCCSC1C
InChIInChI=1S/C10H20N2OS/c1-7(2)12-10(9(11)13)5-4-6-14-8(10)3/h7-8,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeyTUIGFANOCODYKC-UHFFFAOYSA-N
XLogP1.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-(propan-2-ylamino)thiane-3-carboxylate
CID 79951445
2-methyl-3-(2,2,2-trifluoroethylamino)thiane-3-carboxamide
CID 79952142
3-[2-(diethylamino)ethylamino]-2-methylthiane-3-carboxamide
CID 79952038
2-methyl-3-(2-methylpropylamino)thiane-3-carboxylic acid
CID 79951343
methyl 2-methyl-3-(propylamino)thiane-3-carboxylate
CID 79951747
2-[2-[methyl(propan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79577892
methyl 3-anilino-2-methylthiane-3-carboxylate
CID 79951242
1-(propan-2-ylamino)-2-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 79575874
2-(2-piperidin-1-ylethyl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79578077
2-[(2-methylthian-3-yl)amino]propanamide
CID 79957724
2,3-dimethyl-1-(methylamino)cyclohexane-1-carboxamide
CID 64754738
1-(propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
CID 79581093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide?
The IUPAC name of 2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide (CID 79951940) is 2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide.
What is the SMILES notation for 2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide?
The canonical SMILES for 2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide is CC(C)NC1(C(N)=O)CCCSC1C.
What is the InChIKey of 2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide?
The InChIKey is TUIGFANOCODYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-7(2)12-10(9(11)13)5-4-6-14-8(10)3/h7-8,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide?
2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(propan-2-ylamino)thiane-3-carboxamide is sourced from PubChem (CID 79951940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).