N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide

C10H20N2OS — CID 79956547

IUPACN-ethyl-2-[(2-methylthian-3-yl)amino]acetamide
SMILESCCNC(=O)CNC1CCCSC1C
InChIInChI=1S/C10H20N2OS/c1-3-11-10(13)7-12-9-5-4-6-14-8(9)2/h8-9,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyZZKGEPXOUWAPII-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.00
Rot. Bonds4

About N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide

N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide (PubChem CID 79956547) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-methylthian-3-yl)amino]acetamide
PubChem CID79956547
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-ethyl-2-[(2-methylthian-3-yl)amino]acetamide
SMILESCCNC(=O)CNC1CCCSC1C
InChIInChI=1S/C10H20N2OS/c1-3-11-10(13)7-12-9-5-4-6-14-8(9)2/h8-9,12H,3-7H2,1-2H3,(H,11,13)
InChIKeyZZKGEPXOUWAPII-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[(1S,2S)-2-hydroxycyclohexyl]amino]acetamide
CID 93346249
N-ethyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]acetamide
CID 64758268
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760
2-(cyclododecylamino)-N-ethylacetamide
CID 43399943
2-methyl-N-prop-2-enylthian-3-amine
CID 79957259
N-ethyl-2-(thian-2-ylmethylamino)acetamide
CID 80600619
2-[(2-methylthian-3-yl)amino]ethanesulfonamide
CID 79957817
2-[(2,3-dimethylcyclohexyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60647542
2-methyl-N-octylthian-3-amine
CID 115567011
N-butyl-2-[(2-hydroxycyclohexyl)amino]acetamide
CID 62359661
tert-butyl N-[2-methyl-1-[(2-methylthian-3-yl)amino]propan-2-yl]carbamate
CID 107249938
N-(cyclopropylmethyl)-2-[(2-methylcyclopentyl)amino]acetamide
CID 63277675

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide?
The IUPAC name of N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide (CID 79956547) is N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide.
What is the SMILES notation for N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide?
The canonical SMILES for N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide is CCNC(=O)CNC1CCCSC1C.
What is the InChIKey of N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide?
The InChIKey is ZZKGEPXOUWAPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-3-11-10(13)7-12-9-5-4-6-14-8(9)2/h8-9,12H,3-7H2,1-2H3,(H,11,13).
What are the key properties of N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide?
N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide has a molecular weight of 216.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-methylthian-3-yl)amino]acetamide is sourced from PubChem (CID 79956547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).