N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide

C11H20N2O3S — CID 54914819

IUPACN-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide
SMILESCC(NCC1CCS(=O)(=O)C1)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O3S/c1-8(11(14)13-10-2-3-10)12-6-9-4-5-17(15,16)7-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyBWHQTZOGIHEIRZ-UHFFFAOYSA-N
MW260.36 g/mol
LogP-0.32
Rot. Bonds5

About N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide

N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide (PubChem CID 54914819) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide
PubChem CID54914819
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide
SMILESCC(NCC1CCS(=O)(=O)C1)C(=O)NC1CC1
InChIInChI=1S/C11H20N2O3S/c1-8(11(14)13-10-2-3-10)12-6-9-4-5-17(15,16)7-9/h8-10,12H,2-7H2,1H3,(H,13,14)
InChIKeyBWHQTZOGIHEIRZ-UHFFFAOYSA-N
XLogP-0.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide
CID 54914501
2-[(1,1-dioxothiolan-3-yl)methylamino]-N-pentan-2-ylpropanamide
CID 54914910
N-cyclopropyl-2-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 114147898
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
(2S)-2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 51892168
2-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 107904735
3-[(1,1-dioxothiolan-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897762
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3-methylbutanamide
CID 61058403
N-[(1,1-dioxothiolan-3-yl)methyl]-3-methoxybutan-2-amine
CID 115708252
N-cyclopropyl-2-[(1,1-dioxothian-3-yl)amino]propanamide
CID 63921950
1-(1-acetylpiperidin-4-yl)-3-[[(3R)-1,1-dioxothiolan-3-yl]methyl]urea
CID 95159121
N-cyclohexyl-2-[(4-methylcyclohexyl)methylamino]propanamide
CID 61490835

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide?
The IUPAC name of N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide (CID 54914819) is N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide is CC(NCC1CCS(=O)(=O)C1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide?
The InChIKey is BWHQTZOGIHEIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-8(11(14)13-10-2-3-10)12-6-9-4-5-17(15,16)7-9/h8-10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide?
N-cyclopropyl-2-[(1,1-dioxothiolan-3-yl)methylamino]propanamide has a molecular weight of 260.36 g/mol, XLogP of -0.32, 5 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-dioxothiolan-3-yl)methylamino]propanamide is sourced from PubChem (CID 54914819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).