tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate

C17H30N2O2S — CID 107253496

IUPACtert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(CC)c1cccs1
InChIInChI=1S/C17H30N2O2S/c1-6-9-13(12-18-16(20)21-17(3,4)5)19-14(7-2)15-10-8-11-22-15/h8,10-11,13-14,19H,6-7,9,12H2,1-5H3,(H,18,20)
InChIKeyMQIMNHPTNJDNBQ-UHFFFAOYSA-N
MW326.51 g/mol
LogP4.48
Rot. Bonds8

About tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate

tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate (PubChem CID 107253496) has the molecular formula C17H30N2O2S and a molecular weight of 326.51 g/mol. Its IUPAC name is tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate
PubChem CID107253496
Molecular FormulaC17H30N2O2S
Molecular Weight326.51 g/mol
Exact Mass326.20
IUPAC Nametert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(CC)c1cccs1
InChIInChI=1S/C17H30N2O2S/c1-6-9-13(12-18-16(20)21-17(3,4)5)19-14(7-2)15-10-8-11-22-15/h8,10-11,13-14,19H,6-7,9,12H2,1-5H3,(H,18,20)
InChIKeyMQIMNHPTNJDNBQ-UHFFFAOYSA-N
XLogP4.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66338688
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
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tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
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tert-butyl N-[3-(1-thiophen-2-ylbutylamino)cyclobutyl]carbamate
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(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-thiophen-2-ylbutanoic acid
CID 102516088
tert-butyl N-[2-(2-ethylbutylamino)pentyl]carbamate
CID 107253795
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
CID 107253639
tert-butyl 3-(1-thiophen-2-ylpropylamino)azetidine-1-carboxylate
CID 63303145
tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
CID 107253634
tert-butyl N-[3-(1-thiophen-2-ylpropylamino)cyclopentyl]carbamate
CID 103719850
2,6-dimethyl-N-(1-thiophen-2-ylpropyl)heptan-4-amine
CID 63456212

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate (CID 107253496) is tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC(CC)c1cccs1.
What is the InChIKey of tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate?
The InChIKey is MQIMNHPTNJDNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2S/c1-6-9-13(12-18-16(20)21-17(3,4)5)19-14(7-2)15-10-8-11-22-15/h8,10-11,13-14,19H,6-7,9,12H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate?
tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate has a molecular weight of 326.51 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate is sourced from PubChem (CID 107253496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).