N-ethyl-2-(thian-2-ylmethylamino)acetamide

C10H20N2OS — CID 80600619

IUPACN-ethyl-2-(thian-2-ylmethylamino)acetamide
SMILESCCNC(=O)CNCC1CCCCS1
InChIInChI=1S/C10H20N2OS/c1-2-12-10(13)8-11-7-9-5-3-4-6-14-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyWDCZSRKXNOHVLV-UHFFFAOYSA-N
MW216.35 g/mol
LogP1.00
Rot. Bonds5

About N-ethyl-2-(thian-2-ylmethylamino)acetamide

N-ethyl-2-(thian-2-ylmethylamino)acetamide (PubChem CID 80600619) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is N-ethyl-2-(thian-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(thian-2-ylmethylamino)acetamide
PubChem CID80600619
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC NameN-ethyl-2-(thian-2-ylmethylamino)acetamide
SMILESCCNC(=O)CNCC1CCCCS1
InChIInChI=1S/C10H20N2OS/c1-2-12-10(13)8-11-7-9-5-3-4-6-14-9/h9,11H,2-8H2,1H3,(H,12,13)
InChIKeyWDCZSRKXNOHVLV-UHFFFAOYSA-N
XLogP1.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-propyl-2-(thiolan-2-ylmethylamino)acetamide
CID 80585576
2-(cyclopropylmethylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600083
2-(prop-2-ynylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600284
methyl 2-(thian-2-ylmethylamino)acetate
CID 80600319
1-pyrrolidin-1-yl-2-(thian-2-ylmethylamino)ethanone
CID 80600916
N-cyclohexyl-2-(thiolan-2-ylmethylamino)acetamide
CID 80584523
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600978
2-(methylamino)-N-(thiolan-2-ylmethyl)acetamide
CID 80584517
ethyl 2-(thiolan-2-ylmethylamino)acetate
CID 80585602
2-oxo-2-(thian-2-ylmethylamino)acetic acid
CID 80613174
3-oxo-3-(thian-2-ylmethylamino)propanoic acid
CID 80612290
3-chloro-2-methyl-N-(thian-2-ylmethyl)prop-2-en-1-amine
CID 106437913

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(thian-2-ylmethylamino)acetamide?
The IUPAC name of N-ethyl-2-(thian-2-ylmethylamino)acetamide (CID 80600619) is N-ethyl-2-(thian-2-ylmethylamino)acetamide.
What is the SMILES notation for N-ethyl-2-(thian-2-ylmethylamino)acetamide?
The canonical SMILES for N-ethyl-2-(thian-2-ylmethylamino)acetamide is CCNC(=O)CNCC1CCCCS1.
What is the InChIKey of N-ethyl-2-(thian-2-ylmethylamino)acetamide?
The InChIKey is WDCZSRKXNOHVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-2-12-10(13)8-11-7-9-5-3-4-6-14-9/h9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of N-ethyl-2-(thian-2-ylmethylamino)acetamide?
N-ethyl-2-(thian-2-ylmethylamino)acetamide has a molecular weight of 216.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(thian-2-ylmethylamino)acetamide is sourced from PubChem (CID 80600619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).