tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate

C14H23NO2S — CID 83980493

IUPACtert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate
SMILESCc1ccc(CCC(C)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C14H23NO2S/c1-10(15-13(16)17-14(3,4)5)6-8-12-9-7-11(2)18-12/h7,9-10H,6,8H2,1-5H3,(H,15,16)
InChIKeyLXVGHNINRKKNMK-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.90
Rot. Bonds4

About tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate

tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate (PubChem CID 83980493) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate
PubChem CID83980493
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Nametert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate
SMILESCc1ccc(CCC(C)NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C14H23NO2S/c1-10(15-13(16)17-14(3,4)5)6-8-12-9-7-11(2)18-12/h7,9-10H,6,8H2,1-5H3,(H,15,16)
InChIKeyLXVGHNINRKKNMK-UHFFFAOYSA-N
XLogP3.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
tert-butyl N-[(2S)-1-(5-methylthiophen-2-yl)-1-oxopropan-2-yl]carbamate
CID 165468160
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-methylthiophen-2-yl)propanoic acid
CID 78961811
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzoate
CID 122389859
tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[4-[(4-hydroxyphenyl)methylamino]butan-2-yl]carbamate
CID 102809694
tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
CID 103917367
tert-butyl N-[(2S)-1-[methyl-[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]-1-oxopropan-2-yl]carbamate
CID 95181597
tert-butyl N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 107240037
tert-butyl N-[4-(1-thiophen-3-ylethylamino)butan-2-yl]carbamate
CID 103901749
tert-butyl N-[4-[1-(furan-3-yl)ethylamino]butan-2-yl]carbamate
CID 103901706

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate (CID 83980493) is tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate is Cc1ccc(CCC(C)NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate?
The InChIKey is LXVGHNINRKKNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-10(15-13(16)17-14(3,4)5)6-8-12-9-7-11(2)18-12/h7,9-10H,6,8H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate?
tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate has a molecular weight of 269.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(5-methylthiophen-2-yl)butan-2-yl]carbamate is sourced from PubChem (CID 83980493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).