N-methyl-3-(propylcarbamothioylamino)propanamide

C8H17N3OS — CID 116508065

IUPACN-methyl-3-(propylcarbamothioylamino)propanamide
SMILESCCCNC(=S)NCCC(=O)NC
InChIInChI=1S/C8H17N3OS/c1-3-5-10-8(13)11-6-4-7(12)9-2/h3-6H2,1-2H3,(H,9,12)(H2,10,11,13)
InChIKeySUKJFWAQFGHQHL-UHFFFAOYSA-N
MW203.31 g/mol
LogP-0.00
Rot. Bonds5

About N-methyl-3-(propylcarbamothioylamino)propanamide

N-methyl-3-(propylcarbamothioylamino)propanamide (PubChem CID 116508065) has the molecular formula C8H17N3OS and a molecular weight of 203.31 g/mol. Its IUPAC name is N-methyl-3-(propylcarbamothioylamino)propanamide.

Molecular Properties

Compound NameN-methyl-3-(propylcarbamothioylamino)propanamide
PubChem CID116508065
Molecular FormulaC8H17N3OS
Molecular Weight203.31 g/mol
Exact Mass203.11
IUPAC NameN-methyl-3-(propylcarbamothioylamino)propanamide
SMILESCCCNC(=S)NCCC(=O)NC
InChIInChI=1S/C8H17N3OS/c1-3-5-10-8(13)11-6-4-7(12)9-2/h3-6H2,1-2H3,(H,9,12)(H2,10,11,13)
InChIKeySUKJFWAQFGHQHL-UHFFFAOYSA-N
XLogP-0.00
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 5-0.00
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

N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
3-(carbamoylamino)-N-methylpropanamide
CID 60667661
3-(1-methoxypropan-2-ylcarbamothioylamino)-N-methylpropanamide
CID 116508069
1-(2-hydroxyethyl)-3-propylthiourea
CID 2824653
3-[(N,N'-dimethylcarbamimidoyl)amino]-N-propylpropanamide
CID 110917952
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
N-(2-methylpropyl)-2-(propylcarbamothioylamino)acetamide
CID 115598342
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
methyl 2-(propylcarbamothioylamino)propanoate
CID 116507684
2-[2-(propylcarbamothioylamino)ethoxy]acetamide
CID 106235159
N-methylacetamide;N-propylacetamide
CID 160752156

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propylcarbamothioylamino)propanamide?
The IUPAC name of N-methyl-3-(propylcarbamothioylamino)propanamide (CID 116508065) is N-methyl-3-(propylcarbamothioylamino)propanamide.
What is the SMILES notation for N-methyl-3-(propylcarbamothioylamino)propanamide?
The canonical SMILES for N-methyl-3-(propylcarbamothioylamino)propanamide is CCCNC(=S)NCCC(=O)NC.
What is the InChIKey of N-methyl-3-(propylcarbamothioylamino)propanamide?
The InChIKey is SUKJFWAQFGHQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3OS/c1-3-5-10-8(13)11-6-4-7(12)9-2/h3-6H2,1-2H3,(H,9,12)(H2,10,11,13).
What are the key properties of N-methyl-3-(propylcarbamothioylamino)propanamide?
N-methyl-3-(propylcarbamothioylamino)propanamide has a molecular weight of 203.31 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propylcarbamothioylamino)propanamide is sourced from PubChem (CID 116508065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).