[1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate

C7H8ClNO3S — CID 69369838

IUPAC[1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate
SMILESNC(=O)OC(CO)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO3S/c8-6-2-1-5(13-6)4(3-10)12-7(9)11/h1-2,4,10H,3H2,(H2,9,11)
InChIKeyRCLDUFSHUDVXSM-UHFFFAOYSA-N
MW221.66 g/mol
LogP1.53
Rot. Bonds3

About [1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate

[1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate (PubChem CID 69369838) has the molecular formula C7H8ClNO3S and a molecular weight of 221.66 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate.

Molecular Properties

Compound Name[1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate
PubChem CID69369838
Molecular FormulaC7H8ClNO3S
Molecular Weight221.66 g/mol
Exact Mass220.99
IUPAC Name[1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate
SMILESNC(=O)OC(CO)c1ccc(Cl)s1
InChIInChI=1S/C7H8ClNO3S/c8-6-2-1-5(13-6)4(3-10)12-7(9)11/h1-2,4,10H,3H2,(H2,9,11)
InChIKeyRCLDUFSHUDVXSM-UHFFFAOYSA-N
XLogP1.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175035515
[1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175023396
ethyl 2-(5-chlorothiophen-2-yl)-2-sulfanylacetate
CID 170987502
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
carbamothioic S-acid;O-[1-(5-chlorothiophen-2-yl)-2-nitroethyl] N,N-dimethylcarbamothioate
CID 173445874
[(2S)-3-amino-2-(5-chlorothiophen-2-yl)-3-oxopropyl] N-oxocarbamate
CID 141061716
ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate
CID 150301919
methyl 3-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 43146898
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
(2S)-2-(5-chlorothiophen-2-yl)-3-(propan-2-ylamino)propanamide
CID 70306782
4-[2-(5-chlorothiophen-2-yl)-3-hydroxypropoxy]phenol
CID 117240691
3-amino-3-(5-chlorothiophen-2-yl)propanehydrazide
CID 116848751

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate?
The IUPAC name of [1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate (CID 69369838) is [1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate.
What is the SMILES notation for [1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate?
The canonical SMILES for [1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate is NC(=O)OC(CO)c1ccc(Cl)s1.
What is the InChIKey of [1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate?
The InChIKey is RCLDUFSHUDVXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3S/c8-6-2-1-5(13-6)4(3-10)12-7(9)11/h1-2,4,10H,3H2,(H2,9,11).
What are the key properties of [1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate?
[1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate has a molecular weight of 221.66 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate is sourced from PubChem (CID 69369838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).