N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide

C14H21NO3S — CID 99996481

IUPACN-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC[C@H](O)C2CCOCC2)c1
InChIInChI=1S/C14H21NO3S/c1-10-8-13(19-9-10)14(17)15-5-2-12(16)11-3-6-18-7-4-11/h8-9,11-12,16H,2-7H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyGJJLVFXHRVTEOW-LBPRGKRZSA-N
MW283.39 g/mol
LogP1.96
Rot. Bonds5

About N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide

N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide (PubChem CID 99996481) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide
PubChem CID99996481
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC[C@H](O)C2CCOCC2)c1
InChIInChI=1S/C14H21NO3S/c1-10-8-13(19-9-10)14(17)15-5-2-12(16)11-3-6-18-7-4-11/h8-9,11-12,16H,2-7H2,1H3,(H,15,17)/t12-/m0/s1
InChIKeyGJJLVFXHRVTEOW-LBPRGKRZSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenylbutanamide
CID 99996591
(2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide
CID 99996598
1-[(3R)-3-hydroxy-3-(oxan-4-yl)propyl]-3-phenylurea
CID 99997106
1-(4-methylthiophen-2-yl)-2-(oxolan-3-yl)ethanone
CID 130943651
1-cyclohexyl-3-[3-hydroxy-3-(oxan-4-yl)propyl]urea
CID 86266687
N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide
CID 130835210
N-(2-morpholin-4-ylethyl)-4-trimethylstannylthiophene-2-carboxamide
CID 23063748
4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide
CID 121177066
4-methyl-N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122255088
2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120794628
N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 97040097
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-4-methylthiophene-2-carboxamide
CID 98783777

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide (CID 99996481) is N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCC[C@H](O)C2CCOCC2)c1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide?
The InChIKey is GJJLVFXHRVTEOW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-8-13(19-9-10)14(17)15-5-2-12(16)11-3-6-18-7-4-11/h8-9,11-12,16H,2-7H2,1H3,(H,15,17)/t12-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide?
N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide has a molecular weight of 283.39 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 99996481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).