N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide

C11H20N2O3S — CID 63921950

IUPACN-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
SMILESCC(NC1CCCS(=O)(=O)C1)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O3S/c1-8(11(14)13-9-4-5-9)12-10-3-2-6-17(15,16)7-10/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyWXJWOWICFNGCDW-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.18
Rot. Bonds4

About N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide

N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide (PubChem CID 63921950) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
PubChem CID63921950
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
SMILESCC(NC1CCCS(=O)(=O)C1)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O3S/c1-8(11(14)13-9-4-5-9)12-10-3-2-6-17(15,16)7-10/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyWXJWOWICFNGCDW-UHFFFAOYSA-N
XLogP-0.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-3-yl)-2-(methylamino)propanamide
CID 63924115
2-[(1,1-dioxothian-3-yl)amino]-N-(methylcarbamoyl)propanamide
CID 63923344
N-cyclopentyl-2-(cyclopropylamino)propanamide
CID 43083564
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
2-[(1,1-dioxothian-3-yl)amino]-N-prop-2-enylpropanamide
CID 63923148
2-[(1,1-dioxothian-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 63923726
2-[(1,1-dioxothian-3-yl)amino]-N-phenylpropanamide
CID 63924534
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-[(1,1-dioxothiolan-3-yl)amino]-N-ethylpropanamide
CID 43085824
1-cyclobutyl-3-(1,1-dioxothian-3-yl)urea
CID 104600925

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide (CID 63921950) is N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide is CC(NC1CCCS(=O)(=O)C1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide?
The InChIKey is WXJWOWICFNGCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(11(14)13-9-4-5-9)12-10-3-2-6-17(15,16)7-10/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide?
N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide has a molecular weight of 260.36 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide is sourced from PubChem (CID 63921950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).