N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide

C14H27N3O2S — CID 63712907

IUPACN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)N(C)CCC(N)=S)CC1CCCOC1
InChIInChI=1S/C14H27N3O2S/c1-16(10-12-4-3-9-19-11-12)7-6-14(18)17(2)8-5-13(15)20/h12H,3-11H2,1-2H3,(H2,15,20)
InChIKeyRUHZAKOJRDPAPB-UHFFFAOYSA-N
MW301.46 g/mol
LogP0.87
Rot. Bonds8

About N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide (PubChem CID 63712907) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide
PubChem CID63712907
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC NameN-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)N(C)CCC(N)=S)CC1CCCOC1
InChIInChI=1S/C14H27N3O2S/c1-16(10-12-4-3-9-19-11-12)7-6-14(18)17(2)8-5-13(15)20/h12H,3-11H2,1-2H3,(H2,15,20)
InChIKeyRUHZAKOJRDPAPB-UHFFFAOYSA-N
XLogP0.87
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxolan-3-yl)amino]propanamide
CID 82737626
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
1-methyl-1-(oxan-3-ylmethyl)urea
CID 63712445
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-(oxan-3-ylmethyl)oxamide
CID 63707704
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
N-(3-amino-3-sulfanylidenepropyl)-3-[cyclopropylmethyl(ethyl)amino]-N-methylpropanamide
CID 63956602
ethyl 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713360
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
ethyl 4-[methyl(oxan-3-ylmethyl)amino]-4-oxobutanoate
CID 63717734
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 61288394

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide?
The IUPAC name of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide (CID 63712907) is N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide?
The canonical SMILES for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide is CN(CCC(=O)N(C)CCC(N)=S)CC1CCCOC1.
What is the InChIKey of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide?
The InChIKey is RUHZAKOJRDPAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-16(10-12-4-3-9-19-11-12)7-6-14(18)17(2)8-5-13(15)20/h12H,3-11H2,1-2H3,(H2,15,20).
What are the key properties of N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide?
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide has a molecular weight of 301.46 g/mol, XLogP of 0.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanamide is sourced from PubChem (CID 63712907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).