N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide

C7H14N2OS — CID 144653401

IUPACN-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide
SMILESCCNC(=S)C(C)(C)NC=O
InChIInChI=1S/C7H14N2OS/c1-4-8-6(11)7(2,3)9-5-10/h5H,4H2,1-3H3,(H,8,11)(H,9,10)
InChIKeyNXNKKQKAXFCTNW-UHFFFAOYSA-N
MW174.27 g/mol
LogP0.45
Rot. Bonds4

About N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide

N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide (PubChem CID 144653401) has the molecular formula C7H14N2OS and a molecular weight of 174.27 g/mol. Its IUPAC name is N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide
PubChem CID144653401
Molecular FormulaC7H14N2OS
Molecular Weight174.27 g/mol
Exact Mass174.08
IUPAC NameN-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide
SMILESCCNC(=S)C(C)(C)NC=O
InChIInChI=1S/C7H14N2OS/c1-4-8-6(11)7(2,3)9-5-10/h5H,4H2,1-3H3,(H,8,11)(H,9,10)
InChIKeyNXNKKQKAXFCTNW-UHFFFAOYSA-N
XLogP0.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-formamido-2-methyl-N,N-dipropylpropanamide
CID 88885839
N-(2-hydroxybutan-2-yl)formamide
CID 57325343
2-formamido-N,2-dimethylpropanamide
CID 88936933
2-formamido-2-methylpentanoic acid
CID 61145661
N-(1,1-dihydroxyethyl)formamide
CID 87394549
[1-(ethylamino)-3,3-dimethyl-1-oxobutan-2-yl]-λ2-stannane
CID 174942206
N-(4-methylheptan-4-yl)formamide
CID 54483706
(2R)-2-(tert-butylamino)-N-ethylpropanamide
CID 146263926
3-(ethylamino)-2-formyl-3-oxopropanoic acid
CID 89043660
N-tert-butylformamide;ethane
CID 142078215
1-N,1-N'-diethylprop-1-ene-1,1-diamine
CID 87221910
2,2-dimethylpropane;ethane;N-ethylformamide
CID 142479182

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide?
The IUPAC name of N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide (CID 144653401) is N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide.
What is the SMILES notation for N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide?
The canonical SMILES for N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide is CCNC(=S)C(C)(C)NC=O.
What is the InChIKey of N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide?
The InChIKey is NXNKKQKAXFCTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS/c1-4-8-6(11)7(2,3)9-5-10/h5H,4H2,1-3H3,(H,8,11)(H,9,10).
What are the key properties of N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide?
N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide has a molecular weight of 174.27 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-2-methyl-1-sulfanylidenepropan-2-yl]formamide is sourced from PubChem (CID 144653401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).