N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide

C7H15N3O2S — CID 83117465

IUPACN-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
SMILESCN(C)C(=O)NCCNC(=O)CS
InChIInChI=1S/C7H15N3O2S/c1-10(2)7(12)9-4-3-8-6(11)5-13/h13H,3-5H2,1-2H3,(H,8,11)(H,9,12)
InChIKeyZETWEFFMNJQKIW-UHFFFAOYSA-N
MW205.28 g/mol
LogP-0.70
Rot. Bonds4

About N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide

N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide (PubChem CID 83117465) has the molecular formula C7H15N3O2S and a molecular weight of 205.28 g/mol. Its IUPAC name is N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
PubChem CID83117465
Molecular FormulaC7H15N3O2S
Molecular Weight205.28 g/mol
Exact Mass205.09
IUPAC NameN-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide
SMILESCN(C)C(=O)NCCNC(=O)CS
InChIInChI=1S/C7H15N3O2S/c1-10(2)7(12)9-4-3-8-6(11)5-13/h13H,3-5H2,1-2H3,(H,8,11)(H,9,12)
InChIKeyZETWEFFMNJQKIW-UHFFFAOYSA-N
XLogP-0.70
TPSA61.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylcarbamoylamino)ethyl]propanamide
CID 83117545
N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
CID 83111812
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83111457
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
5-bromo-N-[2-(dimethylcarbamoylamino)ethyl]pentanamide
CID 107910490
N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 14480079
N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide
CID 83110912
2-(1-aminocyclobutyl)-N-[2-(dimethylcarbamoylamino)ethyl]acetamide
CID 83112019
3-[2-(dimethylcarbamoylamino)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114898904
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 83111827
tert-butyl N-[2-(dimethylcarbamoylamino)ethyl]carbamate
CID 78978111
N-butyl-2-sulfanylacetamide;propane
CID 153354639

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide?
The IUPAC name of N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide (CID 83117465) is N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide.
What is the SMILES notation for N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide?
The canonical SMILES for N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide is CN(C)C(=O)NCCNC(=O)CS.
What is the InChIKey of N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide?
The InChIKey is ZETWEFFMNJQKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2S/c1-10(2)7(12)9-4-3-8-6(11)5-13/h13H,3-5H2,1-2H3,(H,8,11)(H,9,12).
What are the key properties of N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide?
N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide has a molecular weight of 205.28 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylcarbamoylamino)ethyl]-2-sulfanylacetamide is sourced from PubChem (CID 83117465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).