N-(aminomethyl)-3-thiophosphorosopropanamide

C4H9N2OPS — CID 118940056

IUPACN-(aminomethyl)-3-thiophosphorosopropanamide
SMILESNCNC(=O)CCP=S
InChIInChI=1S/C4H9N2OPS/c5-3-6-4(7)1-2-8-9/h1-3,5H2,(H,6,7)
InChIKeyVGSAVLBCCPJFLK-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.18
Rot. Bonds4

About N-(aminomethyl)-3-thiophosphorosopropanamide

N-(aminomethyl)-3-thiophosphorosopropanamide (PubChem CID 118940056) has the molecular formula C4H9N2OPS and a molecular weight of 164.17 g/mol. Its IUPAC name is N-(aminomethyl)-3-thiophosphorosopropanamide.

Molecular Properties

Compound NameN-(aminomethyl)-3-thiophosphorosopropanamide
PubChem CID118940056
Molecular FormulaC4H9N2OPS
Molecular Weight164.17 g/mol
Exact Mass164.02
IUPAC NameN-(aminomethyl)-3-thiophosphorosopropanamide
SMILESNCNC(=O)CCP=S
InChIInChI=1S/C4H9N2OPS/c5-3-6-4(7)1-2-8-9/h1-3,5H2,(H,6,7)
InChIKeyVGSAVLBCCPJFLK-UHFFFAOYSA-N
XLogP-0.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(aminomethyl)-3-sulfanylpropanamide
CID 117126503
3-[[3-(aminomethylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 155228791
N-(aminomethyl)-2-(dimethylamino)acetamide
CID 170647333
aminomethylcarbamic acid
CID 90118648
(Z)-N-(aminomethyl)docos-13-enamide
CID 139970959
N-(aminomethyl)-N'-[[[3-(aminomethylamino)-3-oxopropanoyl]amino]-dihydroxymethyl]propanediamide
CID 20822529
aminomethylcarbamic acid;hydrochloride
CID 90118647
N-[3-(aminomethylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 145046694
N-(2-amino-2-oxoethyl)-4-fluorobutanamide
CID 57129132
2-[2-(aminomethylamino)-2-oxoethoxy]-N-methylacetamide
CID 118604726
2-(aminomethylamino)-2-oxoacetic acid
CID 117126334
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-3-thiophosphorosopropanamide?
The IUPAC name of N-(aminomethyl)-3-thiophosphorosopropanamide (CID 118940056) is N-(aminomethyl)-3-thiophosphorosopropanamide.
What is the SMILES notation for N-(aminomethyl)-3-thiophosphorosopropanamide?
The canonical SMILES for N-(aminomethyl)-3-thiophosphorosopropanamide is NCNC(=O)CCP=S.
What is the InChIKey of N-(aminomethyl)-3-thiophosphorosopropanamide?
The InChIKey is VGSAVLBCCPJFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2OPS/c5-3-6-4(7)1-2-8-9/h1-3,5H2,(H,6,7).
What are the key properties of N-(aminomethyl)-3-thiophosphorosopropanamide?
N-(aminomethyl)-3-thiophosphorosopropanamide has a molecular weight of 164.17 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-3-thiophosphorosopropanamide is sourced from PubChem (CID 118940056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).