N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide

C10H17N3OS — CID 116509918

IUPACN-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
SMILESCC(NC(=S)NC1CC1)C(=O)NC1CC1
InChIInChI=1S/C10H17N3OS/c1-6(9(14)12-7-2-3-7)11-10(15)13-8-4-5-8/h6-8H,2-5H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyYMLDKBOOSYYEAU-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.28
Rot. Bonds4

About N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide

N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide (PubChem CID 116509918) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
PubChem CID116509918
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide
SMILESCC(NC(=S)NC1CC1)C(=O)NC1CC1
InChIInChI=1S/C10H17N3OS/c1-6(9(14)12-7-2-3-7)11-10(15)13-8-4-5-8/h6-8H,2-5H2,1H3,(H,12,14)(H2,11,13,15)
InChIKeyYMLDKBOOSYYEAU-UHFFFAOYSA-N
XLogP0.28
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylcarbamothioylamino)propanamide
CID 116507427
N-cyclopropyl-2-(cyclopropylcarbamoylamino)propanamide
CID 116657682
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-methylpropanamide
CID 115599512
(2R)-2-(cyclohexylcarbamothioylamino)propanoic acid
CID 40571788
2-(cyclohexylcarbamothioylamino)propanoic acid
CID 4134493
2-(cyclopropylcarbamothioylamino)-N,N-diethylpropanamide
CID 116509964
N-cyclopentyl-2-(cyclopropylcarbamoylamino)propanamide
CID 47076626
1-(4-methylcycloheptyl)-3-propan-2-ylthiourea
CID 102794706
N-cyclopropyl-2-(propan-2-ylamino)propanamide
CID 43085808
2-(tert-butylcarbamoylamino)-N-cyclopropylpropanamide
CID 115585441
(2S)-2-(carbamoylamino)-N-(4-methylcyclohexyl)propanamide
CID 35935105
N-[1-(cyclopentylamino)-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 47400512

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide?
The IUPAC name of N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide (CID 116509918) is N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide?
The canonical SMILES for N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide is CC(NC(=S)NC1CC1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide?
The InChIKey is YMLDKBOOSYYEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(9(14)12-7-2-3-7)11-10(15)13-8-4-5-8/h6-8H,2-5H2,1H3,(H,12,14)(H2,11,13,15).
What are the key properties of N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide?
N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide has a molecular weight of 227.33 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(cyclopropylcarbamothioylamino)propanamide is sourced from PubChem (CID 116509918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).