N,N-diethylthiane-3-carboxamide

C10H19NOS — CID 110855161

IUPACN,N-diethylthiane-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCSC1
InChIInChI=1S/C10H19NOS/c1-3-11(4-2)10(12)9-6-5-7-13-8-9/h9H,3-8H2,1-2H3
InChIKeyOKDANZABMINDRQ-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.00
Rot. Bonds3

About N,N-diethylthiane-3-carboxamide

N,N-diethylthiane-3-carboxamide (PubChem CID 110855161) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N,N-diethylthiane-3-carboxamide.

Molecular Properties

Compound NameN,N-diethylthiane-3-carboxamide
PubChem CID110855161
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN,N-diethylthiane-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCSC1
InChIInChI=1S/C10H19NOS/c1-3-11(4-2)10(12)9-6-5-7-13-8-9/h9H,3-8H2,1-2H3
InChIKeyOKDANZABMINDRQ-UHFFFAOYSA-N
XLogP2.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(2-hydroxy-2-methylpropyl)thiolane-3-carboxamide
CID 79387282
N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide
CID 106629562
N,N-diethylthiolane-2-carboxamide
CID 64592668
N-ethyl-N-(3-methylphenyl)thiane-3-carboxamide
CID 110865038
N,N-diethylpiperidine-3-carboxamide
CID 18793
N-(1,1-dioxothiolan-3-yl)-N-methylthiane-3-carboxamide
CID 110852968
N-ethyl-N-prop-2-ynylcyclopentanecarboxamide
CID 78970864
N-(3-amino-2,2-dimethylpropyl)-N-propylthiolane-3-carboxamide
CID 79668421
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thiolane-3-carboxamide
CID 107491118
N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
CID 115771846
1,1-diethyl-3-(thiolan-3-yl)urea
CID 103698014
N,N-diethyl-4-[[(3S)-thian-3-yl]amino]benzamide
CID 99836848

Frequently Asked Questions

What is the IUPAC name of N,N-diethylthiane-3-carboxamide?
The IUPAC name of N,N-diethylthiane-3-carboxamide (CID 110855161) is N,N-diethylthiane-3-carboxamide.
What is the SMILES notation for N,N-diethylthiane-3-carboxamide?
The canonical SMILES for N,N-diethylthiane-3-carboxamide is CCN(CC)C(=O)C1CCCSC1.
What is the InChIKey of N,N-diethylthiane-3-carboxamide?
The InChIKey is OKDANZABMINDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-3-11(4-2)10(12)9-6-5-7-13-8-9/h9H,3-8H2,1-2H3.
What are the key properties of N,N-diethylthiane-3-carboxamide?
N,N-diethylthiane-3-carboxamide has a molecular weight of 201.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylthiane-3-carboxamide is sourced from PubChem (CID 110855161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).