tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate

C16H25BrN2O2S — CID 103700566

IUPACtert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCc1csc(Br)c1
InChIInChI=1S/C16H25BrN2O2S/c1-16(2,3)21-15(20)19-9-12-5-4-6-13(12)18-8-11-7-14(17)22-10-11/h7,10,12-13,18H,4-6,8-9H2,1-3H3,(H,19,20)
InChIKeyWNJDYKFQNGMYOM-UHFFFAOYSA-N
MW389.36 g/mol
LogP4.29
Rot. Bonds5

About tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate (PubChem CID 103700566) has the molecular formula C16H25BrN2O2S and a molecular weight of 389.36 g/mol. Its IUPAC name is tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate
PubChem CID103700566
Molecular FormulaC16H25BrN2O2S
Molecular Weight389.36 g/mol
Exact Mass388.08
IUPAC Nametert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCc1csc(Br)c1
InChIInChI=1S/C16H25BrN2O2S/c1-16(2,3)21-15(20)19-9-12-5-4-6-13(12)18-8-11-7-14(17)22-10-11/h7,10,12-13,18H,4-6,8-9H2,1-3H3,(H,19,20)
InChIKeyWNJDYKFQNGMYOM-UHFFFAOYSA-N
XLogP4.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[3-[(5-bromothiophen-3-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 107257496
tert-butyl N-[3-[(5-bromothiophen-3-yl)methylamino]propyl]carbamate
CID 103647190
Ethyl 4-[(5-bromothiophen-3-yl)methylamino]piperidine-1-carboxylate
CID 43646997
tert-butyl N-[3-[(5-bromothiophen-3-yl)methyl-methylamino]-3-oxopropyl]carbamate
CID 60580125
tert-butyl N-[[2-(thiophen-3-ylmethylamino)cyclopentyl]methyl]carbamate
CID 65835337
tert-butyl N-[3-(thiophen-3-ylmethylamino)cyclopentyl]carbamate
CID 79462416
tert-butyl N-[4-amino-3-[(5-bromothiophen-3-yl)methyl-methylamino]butyl]carbamate
CID 102729812
tert-butyl N-[3-amino-2-[(5-bromothiophen-3-yl)methyl-methylamino]propyl]carbamate
CID 102729813
tert-butyl N-[4-amino-3-[(5-bromothiophen-3-yl)methyl-methylamino]butan-2-yl]carbamate
CID 102729814
tert-butyl N-[[2-(thiophen-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695496
tert-butyl N-[[2-[(5-bromothiophen-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695711
tert-butyl N-[[2-(1-thiophen-3-ylethylamino)cyclopentyl]methyl]carbamate
CID 103695776

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate (CID 103700566) is tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCc1csc(Br)c1.
What is the InChIKey of tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate?
The InChIKey is WNJDYKFQNGMYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2S/c1-16(2,3)21-15(20)19-9-12-5-4-6-13(12)18-8-11-7-14(17)22-10-11/h7,10,12-13,18H,4-6,8-9H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(5-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate has a molecular weight of 389.36 g/mol, XLogP of 4.29, 5 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-bromothiophen-3-yl)methylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103700566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).