trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide

C16H18N2O3S — CID 97001353

IUPACtrans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O3S/c17-16(19)13-8-4-9-14(13)18-22(20,21)15-10-3-6-11-5-1-2-7-12(11)15/h1-3,5-7,10,13-14,18H,4,8-9H2,(H2,17,19)/t13-,14-/m0/s1
InChIKeyVGBYJMRDVHINGT-KBPBESRZSA-N
MW318.40 g/mol
LogP1.77
Rot. Bonds4

About trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide

trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide (PubChem CID 97001353) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
PubChem CID97001353
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Nametrans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide
SMILESNC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O3S/c17-16(19)13-8-4-9-14(13)18-22(20,21)15-10-3-6-11-5-1-2-7-12(11)15/h1-3,5-7,10,13-14,18H,4,8-9H2,(H2,17,19)/t13-,14-/m0/s1
InChIKeyVGBYJMRDVHINGT-KBPBESRZSA-N
XLogP1.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide (CID 97001353) is trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide is NC(=O)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide?
The InChIKey is VGBYJMRDVHINGT-KBPBESRZSA-N. The full InChI is InChI=1S/C16H18N2O3S/c17-16(19)13-8-4-9-14(13)18-22(20,21)15-10-3-6-11-5-1-2-7-12(11)15/h1-3,5-7,10,13-14,18H,4,8-9H2,(H2,17,19)/t13-,14-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide?
trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(naphthalen-1-ylsulfonylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 97001353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).