tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate

C16H26N2O2S — CID 103917367

IUPACtert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
SMILESCc1ccc(CNC2CCCC2NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C16H26N2O2S/c1-11-8-9-12(21-11)10-17-13-6-5-7-14(13)18-15(19)20-16(2,3)4/h8-9,13-14,17H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyXYWIOYIUHCBOTB-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.59
Rot. Bonds4

About tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate

tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate (PubChem CID 103917367) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
PubChem CID103917367
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Nametert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate
SMILESCc1ccc(CNC2CCCC2NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C16H26N2O2S/c1-11-8-9-12(21-11)10-17-13-6-5-7-14(13)18-15(19)20-16(2,3)4/h8-9,13-14,17H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyXYWIOYIUHCBOTB-UHFFFAOYSA-N
XLogP3.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]carbamate
CID 103917457
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708
tert-butyl N-[2-[(4-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 103917287
tert-butyl N-[2-[(5-bromothiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107238273
tert-butyl N-[2-[(5-tert-butylthiophen-2-yl)methylamino]cyclopropyl]carbamate
CID 107238324
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[2-[(1-methylpyrrol-2-yl)methylamino]cyclopentyl]carbamate
CID 104844767
trans-(1R,2R)-2-[(5-methylthiophen-2-yl)methylamino]cyclohexan-1-ol
CID 94339568
tert-butyl N-[2-[(4-propan-2-yloxyphenyl)methylamino]cyclopentyl]carbamate
CID 113351520
tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 107243745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate (CID 103917367) is tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate is Cc1ccc(CNC2CCCC2NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate?
The InChIKey is XYWIOYIUHCBOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-8-9-12(21-11)10-17-13-6-5-7-14(13)18-15(19)20-16(2,3)4/h8-9,13-14,17H,5-7,10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate?
tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate has a molecular weight of 310.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(5-methylthiophen-2-yl)methylamino]cyclopentyl]carbamate is sourced from PubChem (CID 103917367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).