2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one

C13H19NOS — CID 64868203

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one
SMILESCCC(=O)C(C)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c1-3-13(15)10(2)14(11-6-7-11)9-12-5-4-8-16-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyVGZMTCPZGZGMCM-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.08
Rot. Bonds6

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one

2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one (PubChem CID 64868203) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one
PubChem CID64868203
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one
SMILESCCC(=O)C(C)N(Cc1cccs1)C1CC1
InChIInChI=1S/C13H19NOS/c1-3-13(15)10(2)14(11-6-7-11)9-12-5-4-8-16-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3
InChIKeyVGZMTCPZGZGMCM-UHFFFAOYSA-N
XLogP3.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732
3-[cyclopropyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61448892
tert-butyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoate
CID 64688568
4-[cyclopropyl(thiophen-2-ylmethyl)amino]pentanehydrazide
CID 63577701
N-cyclopropyl-2-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 78852309
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 54948407
2-N-cyclopropyl-1-N,3-dimethyl-2-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 62411330
(2S)-2-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61449382
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
2-[cyclopropyl(6-thiophen-2-ylhexanoyl)amino]propanoic acid
CID 119203403
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62852847

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one (CID 64868203) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one is CCC(=O)C(C)N(Cc1cccs1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one?
The InChIKey is VGZMTCPZGZGMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-3-13(15)10(2)14(11-6-7-11)9-12-5-4-8-16-12/h4-5,8,10-11H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one has a molecular weight of 237.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]pentan-3-one is sourced from PubChem (CID 64868203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).