N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide

C8H14F2N2O3S — CID 114383580

IUPACN-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14F2N2O3S/c9-8(10,4-11)5-12-7(13)6-1-2-16(14,15)3-6/h6H,1-5,11H2,(H,12,13)
InChIKeyZSDJWDPZSHSBNZ-UHFFFAOYSA-N
MW256.27 g/mol
LogP-0.87
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide

N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 114383580) has the molecular formula C8H14F2N2O3S and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID114383580
Molecular FormulaC8H14F2N2O3S
Molecular Weight256.27 g/mol
Exact Mass256.07
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide
SMILESNCC(F)(F)CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C8H14F2N2O3S/c9-8(10,4-11)5-12-7(13)6-1-2-16(14,15)3-6/h6H,1-5,11H2,(H,12,13)
InChIKeyZSDJWDPZSHSBNZ-UHFFFAOYSA-N
XLogP-0.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-1,1-dioxothiolane-3-carboxamide;hydrochloride
CID 119571971
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 103970156
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000
2-[[(1,1-dioxothiolane-3-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65220299
1-(3-amino-2,2-difluoropropyl)-3-cyclopropylurea
CID 114383861
N-[2-(4-fluoroanilino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide
CID 49165322
N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 115668925
N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115456020
N-[[4-(hydroxymethyl)phenyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 107231377
N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115363944

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide (CID 114383580) is N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide is NCC(F)(F)CNC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is ZSDJWDPZSHSBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O3S/c9-8(10,4-11)5-12-7(13)6-1-2-16(14,15)3-6/h6H,1-5,11H2,(H,12,13).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 256.27 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 114383580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).