(5-methylthiophen-3-yl) N-tert-butylcarbamate

C10H15NO2S — CID 175217817

IUPAC(5-methylthiophen-3-yl) N-tert-butylcarbamate
SMILESCc1cc(OC(=O)NC(C)(C)C)cs1
InChIInChI=1S/C10H15NO2S/c1-7-5-8(6-14-7)13-9(12)11-10(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKeyYGAPNXSDNHVYEL-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.94
Rot. Bonds1

About (5-methylthiophen-3-yl) N-tert-butylcarbamate

(5-methylthiophen-3-yl) N-tert-butylcarbamate (PubChem CID 175217817) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (5-methylthiophen-3-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(5-methylthiophen-3-yl) N-tert-butylcarbamate
PubChem CID175217817
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(5-methylthiophen-3-yl) N-tert-butylcarbamate
SMILESCc1cc(OC(=O)NC(C)(C)C)cs1
InChIInChI=1S/C10H15NO2S/c1-7-5-8(6-14-7)13-9(12)11-10(2,3)4/h5-6H,1-4H3,(H,11,12)
InChIKeyYGAPNXSDNHVYEL-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-cyclopropylthiophen-3-yl) N-tert-butylcarbamate
CID 175215163
(3,5-dichlorophenyl) N-tert-butylcarbamate
CID 174575887
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
CID 174705376
5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
CID 11311209
(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate
CID 91617195
[3-chloro-5-(dimethylamino)phenyl] N-tert-butylcarbamate
CID 174375589
(3-ethynylphenyl) N-tert-butylcarbamate
CID 174589897
(2,4,5-trifluorophenyl) N-tert-butylcarbamate
CID 127550277
[4-(difluoromethyl)-1,3-thiazol-2-yl] N-tert-butylcarbamate
CID 174655842
(3-formylthiophen-2-yl) N-tert-butylcarbamate
CID 87350608

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl) N-tert-butylcarbamate?
The IUPAC name of (5-methylthiophen-3-yl) N-tert-butylcarbamate (CID 175217817) is (5-methylthiophen-3-yl) N-tert-butylcarbamate.
What is the SMILES notation for (5-methylthiophen-3-yl) N-tert-butylcarbamate?
The canonical SMILES for (5-methylthiophen-3-yl) N-tert-butylcarbamate is Cc1cc(OC(=O)NC(C)(C)C)cs1.
What is the InChIKey of (5-methylthiophen-3-yl) N-tert-butylcarbamate?
The InChIKey is YGAPNXSDNHVYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-7-5-8(6-14-7)13-9(12)11-10(2,3)4/h5-6H,1-4H3,(H,11,12).
What are the key properties of (5-methylthiophen-3-yl) N-tert-butylcarbamate?
(5-methylthiophen-3-yl) N-tert-butylcarbamate has a molecular weight of 213.30 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl) N-tert-butylcarbamate is sourced from PubChem (CID 175217817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).