N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide

C12H22N2OS — CID 80599814

IUPACN-cyclopropyl-2-(thian-2-ylmethylamino)propanamide
SMILESCC(NCC1CCCCS1)C(=O)NC1CC1
InChIInChI=1S/C12H22N2OS/c1-9(12(15)14-10-5-6-10)13-8-11-4-2-3-7-16-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyWCVCLKICKDJVSI-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.53
Rot. Bonds5

About N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide

N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide (PubChem CID 80599814) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(thian-2-ylmethylamino)propanamide
PubChem CID80599814
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-cyclopropyl-2-(thian-2-ylmethylamino)propanamide
SMILESCC(NCC1CCCCS1)C(=O)NC1CC1
InChIInChI=1S/C12H22N2OS/c1-9(12(15)14-10-5-6-10)13-8-11-4-2-3-7-16-11/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyWCVCLKICKDJVSI-UHFFFAOYSA-N
XLogP1.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-prop-2-ynyl-2-(thian-2-ylmethylamino)propanamide
CID 80600231
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
CID 80584262
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
N-cyclohexyl-2-(thian-4-ylmethylamino)propanamide
CID 115625436
3-(thian-2-ylmethylamino)butan-2-ol
CID 80600593
N-cyclopropyl-2-[(2-hydroxycyclohexyl)methylamino]propanamide
CID 64913669
methyl 2-methyl-3-(thian-2-ylmethylamino)butanoate
CID 80600200
1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine
CID 104537124
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600978
N-cyclopropyl-2-[(1-methylpyrrolidin-2-yl)methylamino]propanamide
CID 106025328
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
CID 104867949

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide?
The IUPAC name of N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide (CID 80599814) is N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide?
The canonical SMILES for N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide is CC(NCC1CCCCS1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide?
The InChIKey is WCVCLKICKDJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(12(15)14-10-5-6-10)13-8-11-4-2-3-7-16-11/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide?
N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide has a molecular weight of 242.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide is sourced from PubChem (CID 80599814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).