N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide

C10H18N2O3S — CID 110720877

IUPACN-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCN1CCCCS1(=O)=O)C1CC1
InChIInChI=1S/C10H18N2O3S/c13-10(9-3-4-9)11-5-7-12-6-1-2-8-16(12,14)15/h9H,1-8H2,(H,11,13)
InChIKeyYSXJCXWVAHCVOW-UHFFFAOYSA-N
MW246.33 g/mol
LogP-0.06
Rot. Bonds4

About N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide (PubChem CID 110720877) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
PubChem CID110720877
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCN1CCCCS1(=O)=O)C1CC1
InChIInChI=1S/C10H18N2O3S/c13-10(9-3-4-9)11-5-7-12-6-1-2-8-16(12,14)15/h9H,1-8H2,(H,11,13)
InChIKeyYSXJCXWVAHCVOW-UHFFFAOYSA-N
XLogP-0.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,1-dioxothiazinan-2-yl)ethyl]propanamide
CID 110720874
3-amino-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119760886
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]acetamide
CID 110720873
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119310346
(3S)-1-cyclopentyl-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94888300
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide
CID 59779901
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
CID 127667649
2-chloro-N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-6-fluorobenzamide
CID 110720919
N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide
CID 71940931
N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
CID 113223981
N-[3-(1,1-dioxothiazinan-2-yl)propyl]-2-ethylbutanamide
CID 110720992
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-6-methylpyridine-3-carboxamide
CID 49067239

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide (CID 110720877) is N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide is O=C(NCCN1CCCCS1(=O)=O)C1CC1.
What is the InChIKey of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is YSXJCXWVAHCVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c13-10(9-3-4-9)11-5-7-12-6-1-2-8-16(12,14)15/h9H,1-8H2,(H,11,13).
What are the key properties of N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide?
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 246.33 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxothiazinan-2-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110720877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).