N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

C15H19NOS — CID 114009459

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NC1Cc2ccccc2C1
InChIInChI=1S/C15H19NOS/c17-14(9-15(10-18)5-6-15)16-13-7-11-3-1-2-4-12(11)8-13/h1-4,13,18H,5-10H2,(H,16,17)
InChIKeyVOFDOAJSBPACHC-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.37
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide

N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (PubChem CID 114009459) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
PubChem CID114009459
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
SMILESO=C(CC1(CS)CC1)NC1Cc2ccccc2C1
InChIInChI=1S/C15H19NOS/c17-14(9-15(10-18)5-6-15)16-13-7-11-3-1-2-4-12(11)8-13/h1-4,13,18H,5-10H2,(H,16,17)
InChIKeyVOFDOAJSBPACHC-UHFFFAOYSA-N
XLogP2.37
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclopropylamino)-N-(2,3-dihydro-1H-inden-2-yl)propanamide
CID 107842751
2-(butan-2-ylamino)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 114007934
CID 153368411
CID 153368411
3-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 62305100
4-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-2-yl)-5-methylhexanamide
CID 107842822
2-bromo-N-(2,3-dihydro-1H-phenalen-2-yl)acetamide
CID 15292142
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
N-cyclopropyl-4-[[2-[1-(sulfanylmethyl)cyclopropyl]acetyl]amino]butanamide
CID 107032145
2-[bis[2-[carboxymethyl-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 67910481
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
N-(2,3-dihydro-1H-inden-2-yl)-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 77091778

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide (CID 114009459) is N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is O=C(CC1(CS)CC1)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
The InChIKey is VOFDOAJSBPACHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c17-14(9-15(10-18)5-6-15)16-13-7-11-3-1-2-4-12(11)8-13/h1-4,13,18H,5-10H2,(H,16,17).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide has a molecular weight of 261.39 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide is sourced from PubChem (CID 114009459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).