N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide

C10H17NO4S — CID 115668925

IUPACN-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC1(O)CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO4S/c12-9(8-2-5-16(14,15)6-8)11-7-10(13)3-1-4-10/h8,13H,1-7H2,(H,11,12)
InChIKeyHHCXAEMKBLIKRP-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.55
Rot. Bonds3

About N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide

N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 115668925) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID115668925
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide
SMILESO=C(NCC1(O)CCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H17NO4S/c12-9(8-2-5-16(14,15)6-8)11-7-10(13)3-1-4-10/h8,13H,1-7H2,(H,11,12)
InChIKeyHHCXAEMKBLIKRP-UHFFFAOYSA-N
XLogP-0.55
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115363944
N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115456020
N-[[1-(aminomethyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 103970156
(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
N-[(2-chlorocyclohexyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 113272694
N-[(4-ethyloxan-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 136529458
N-[(1-hydroxycyclopentyl)methyl]-4-methylcyclohexane-1-carboxamide
CID 79005811
N-(3-bromopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64907068
N-(3-cyanopropyl)-1,1-dioxothiolane-3-carboxamide
CID 64904761
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 47921881

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide (CID 115668925) is N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide is O=C(NCC1(O)CCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is HHCXAEMKBLIKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-9(8-2-5-16(14,15)6-8)11-7-10(13)3-1-4-10/h8,13H,1-7H2,(H,11,12).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 247.32 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 115668925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).