N-methyl-2-(methylcarbamothioylamino)propanamide

C6H13N3OS — CID 115588003

IUPACN-methyl-2-(methylcarbamothioylamino)propanamide
SMILESCNC(=O)C(C)NC(=S)NC
InChIInChI=1S/C6H13N3OS/c1-4(5(10)7-2)9-6(11)8-3/h4H,1-3H3,(H,7,10)(H2,8,9,11)
InChIKeyRJLODRYUUPPUDC-UHFFFAOYSA-N
MW175.26 g/mol
LogP-0.79
Rot. Bonds2

About N-methyl-2-(methylcarbamothioylamino)propanamide

N-methyl-2-(methylcarbamothioylamino)propanamide (PubChem CID 115588003) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is N-methyl-2-(methylcarbamothioylamino)propanamide.

Molecular Properties

Compound NameN-methyl-2-(methylcarbamothioylamino)propanamide
PubChem CID115588003
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC NameN-methyl-2-(methylcarbamothioylamino)propanamide
SMILESCNC(=O)C(C)NC(=S)NC
InChIInChI=1S/C6H13N3OS/c1-4(5(10)7-2)9-6(11)8-3/h4H,1-3H3,(H,7,10)(H2,8,9,11)
InChIKeyRJLODRYUUPPUDC-UHFFFAOYSA-N
XLogP-0.79
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 5-0.79
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

(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
2-(chloroamino)-N-methylpropanamide
CID 19827989
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
(2S)-2-amino-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 14888125
2-(2-bromopropanoylamino)-N-methylpropanamide
CID 107904965
(E)-4-[[1-(methylamino)-1-oxopropan-2-yl]amino]-4-oxobut-2-enoic acid
CID 82238994
(2S)-2-amino-3-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 61467429
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
3-[[1-(methylamino)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 62232320
2-fluoro-2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 130683456
2-[(2-bromo-2,2-difluoroacetyl)amino]-N-methylpropanamide
CID 130710592

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylcarbamothioylamino)propanamide?
The IUPAC name of N-methyl-2-(methylcarbamothioylamino)propanamide (CID 115588003) is N-methyl-2-(methylcarbamothioylamino)propanamide.
What is the SMILES notation for N-methyl-2-(methylcarbamothioylamino)propanamide?
The canonical SMILES for N-methyl-2-(methylcarbamothioylamino)propanamide is CNC(=O)C(C)NC(=S)NC.
What is the InChIKey of N-methyl-2-(methylcarbamothioylamino)propanamide?
The InChIKey is RJLODRYUUPPUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS/c1-4(5(10)7-2)9-6(11)8-3/h4H,1-3H3,(H,7,10)(H2,8,9,11).
What are the key properties of N-methyl-2-(methylcarbamothioylamino)propanamide?
N-methyl-2-(methylcarbamothioylamino)propanamide has a molecular weight of 175.26 g/mol, XLogP of -0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylcarbamothioylamino)propanamide is sourced from PubChem (CID 115588003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).