N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide

C15H22N2O2S — CID 94026901

IUPACN-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESC[C@H](NC(=O)C1CCCC1)C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C15H22N2O2S/c1-11(16-14(18)13-5-3-4-6-13)15(19)17(2)9-12-7-8-20-10-12/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyCWZSJPNBVGSULI-NSHDSACASA-N
MW294.42 g/mol
LogP2.40
Rot. Bonds5

About N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 94026901) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID94026901
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESC[C@H](NC(=O)C1CCCC1)C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C15H22N2O2S/c1-11(16-14(18)13-5-3-4-6-13)15(19)17(2)9-12-7-8-20-10-12/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyCWZSJPNBVGSULI-NSHDSACASA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 94026901) is N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide is C[C@H](NC(=O)C1CCCC1)C(=O)N(C)Cc1ccsc1.
What is the InChIKey of N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is CWZSJPNBVGSULI-NSHDSACASA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(16-14(18)13-5-3-4-6-13)15(19)17(2)9-12-7-8-20-10-12/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[methyl(thiophen-3-ylmethyl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 94026901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).