3-(ethylamino)-4,4-dimethylthiane-3-carboxamide

C10H20N2OS — CID 79947906

IUPAC3-(ethylamino)-4,4-dimethylthiane-3-carboxamide
SMILESCCNC1(C(N)=O)CSCCC1(C)C
InChIInChI=1S/C10H20N2OS/c1-4-12-10(8(11)13)7-14-6-5-9(10,2)3/h12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyOCPHJQAAWLQJQJ-UHFFFAOYSA-N
MW216.35 g/mol
LogP0.98
Rot. Bonds3

About 3-(ethylamino)-4,4-dimethylthiane-3-carboxamide

3-(ethylamino)-4,4-dimethylthiane-3-carboxamide (PubChem CID 79947906) has the molecular formula C10H20N2OS and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-(ethylamino)-4,4-dimethylthiane-3-carboxamide.

Molecular Properties

Compound Name3-(ethylamino)-4,4-dimethylthiane-3-carboxamide
PubChem CID79947906
Molecular FormulaC10H20N2OS
Molecular Weight216.35 g/mol
Exact Mass216.13
IUPAC Name3-(ethylamino)-4,4-dimethylthiane-3-carboxamide
SMILESCCNC1(C(N)=O)CSCCC1(C)C
InChIInChI=1S/C10H20N2OS/c1-4-12-10(8(11)13)7-14-6-5-9(10,2)3/h12H,4-7H2,1-3H3,(H2,11,13)
InChIKeyOCPHJQAAWLQJQJ-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butan-2-ylamino)-4,4-dimethylthiane-3-carboxamide
CID 79948828
4,4-dimethyl-3-(prop-2-ynylamino)thiane-3-carboxylic acid
CID 79948576
3-(3-chloroanilino)-4,4-dimethylthiane-3-carboxamide
CID 79948144
ethyl 3-(ethylamino)thiolane-3-carboxylate
CID 60788380
methyl 4,4-dimethyl-3-(oxolan-2-ylmethylamino)thiane-3-carboxylate
CID 79948917
2-(3-hydroxy-4,4-dimethylthian-3-yl)acetic acid
CID 79955999
4-(aminomethyl)-3,3-dimethylthian-4-ol
CID 83906129
4-[[3-(aminomethyl)-4,4-dimethylthian-3-yl]amino]butan-1-ol
CID 106841350
2-(4-hydroxy-3,3-dimethylthian-4-yl)acetic acid
CID 83908673
1-(ethylamino)-4,4-dimethylcycloheptane-1-carboxamide
CID 65088045
[4-(ethylamino)thian-4-yl]methanol
CID 61337982
2-(3-aminothiolan-3-yl)acetamide
CID 83682209

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4,4-dimethylthiane-3-carboxamide?
The IUPAC name of 3-(ethylamino)-4,4-dimethylthiane-3-carboxamide (CID 79947906) is 3-(ethylamino)-4,4-dimethylthiane-3-carboxamide.
What is the SMILES notation for 3-(ethylamino)-4,4-dimethylthiane-3-carboxamide?
The canonical SMILES for 3-(ethylamino)-4,4-dimethylthiane-3-carboxamide is CCNC1(C(N)=O)CSCCC1(C)C.
What is the InChIKey of 3-(ethylamino)-4,4-dimethylthiane-3-carboxamide?
The InChIKey is OCPHJQAAWLQJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2OS/c1-4-12-10(8(11)13)7-14-6-5-9(10,2)3/h12H,4-7H2,1-3H3,(H2,11,13).
What are the key properties of 3-(ethylamino)-4,4-dimethylthiane-3-carboxamide?
3-(ethylamino)-4,4-dimethylthiane-3-carboxamide has a molecular weight of 216.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4,4-dimethylthiane-3-carboxamide is sourced from PubChem (CID 79947906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).