(2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate

C11H15NO3S — CID 175470777

IUPAC(2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate
SMILESCC(CCC(=O)c1cccs1)COC(N)=O
InChIInChI=1S/C11H15NO3S/c1-8(7-15-11(12)14)4-5-9(13)10-3-2-6-16-10/h2-3,6,8H,4-5,7H2,1H3,(H2,12,14)
InChIKeyRVVAQFNIZUZRLZ-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.44
Rot. Bonds6

About (2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate

(2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate (PubChem CID 175470777) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is (2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate.

Molecular Properties

Compound Name(2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate
PubChem CID175470777
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name(2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate
SMILESCC(CCC(=O)c1cccs1)COC(N)=O
InChIInChI=1S/C11H15NO3S/c1-8(7-15-11(12)14)4-5-9(13)10-3-2-6-16-10/h2-3,6,8H,4-5,7H2,1H3,(H2,12,14)
InChIKeyRVVAQFNIZUZRLZ-UHFFFAOYSA-N
XLogP2.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
4-methoxy-1-thiophen-2-ylpentan-1-one
CID 105081586
4-(2-aminoethyl)-5,5-dimethyl-1-thiophen-2-ylhexan-1-one
CID 116578558
3-methyl-1-thiophen-2-ylhexan-1-one
CID 62621869
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972
2-propan-2-yloxyethyl 4-oxo-4-thiophen-2-ylbutanoate
CID 78790052
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
CID 116606438
propyl 4-oxo-4-thiophen-2-ylbutanoate
CID 78788503
ethyl 5-oxo-5-thiophen-2-ylpentanoate
CID 94259951

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate?
The IUPAC name of (2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate (CID 175470777) is (2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate.
What is the SMILES notation for (2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate?
The canonical SMILES for (2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate is CC(CCC(=O)c1cccs1)COC(N)=O.
What is the InChIKey of (2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate?
The InChIKey is RVVAQFNIZUZRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8(7-15-11(12)14)4-5-9(13)10-3-2-6-16-10/h2-3,6,8H,4-5,7H2,1H3,(H2,12,14).
What are the key properties of (2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate?
(2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate has a molecular weight of 241.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-oxo-5-thiophen-2-ylpentyl) carbamate is sourced from PubChem (CID 175470777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).